*HEADER    CELL ADHESION                           29-JAN-09   2W9V
*TITLE     SOLUTION STRUCTURE OF JERDOSTATIN FROM TRIMERESURUS
*TITLE    2 JERDONII WITH END C-TERMINAL RESIDUES N45G46 DELETED
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SHORT DISINTEGRIN JERDOSTATIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RESIDUES 68-108;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: TRIMERESURUS JERDONII;
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR: PET-32A
*KEYWDS    VIPER, VENOM, TOXIN, SECRETED, DISINTEGRINS, CELL ADHESION,
*KEYWDS   2 BLOOD COAGULATION
*EXPDTA    SOLUTION NMR
*AUTHOR    R.J.CARBAJO,L.SANZ,S.MOSULEN,J.J.CALVETE,A.PINEDA-LUCENA
*REVDAT   1   29-JAN-09 2W9V    0




! 
! RTS-NG  jerdostatin
!

! UNAMBIGUOUS CONSTRAINTS


!A1

assign (residue 1 and name HA) (residue 2 and name HN) 5.0 5.0 0.0 ! 040407



!M2

assign (residue 2 and name HN) (residue 2 and name HA) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HN) (residue 2 and name HB#) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HN) (residue 2 and name HG#) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HA) (residue 3 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HB#) (residue 3 and name HN) 5.0 5.0 0.0 ! 040407



!D3

assign (residue 3 and name HN) (residue 3 and name HA) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HN) (residue 3 and name HB#) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HN) (residue 4 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HA) (residue 4 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HB#) (residue 4 and name HN) 6.0 6.0 0.0 ! 040407

assign (residue 3 and name HA) (residue 4 and name HB#) 5.0 5.0 0.0 ! 040407


!C4

assign (residue 4 and name HN) (residue 4 and name HA) 5.0 5.0 0.0 ! 050407

assign (residue 4 and name HN) (residue 4 and name HB#) 5.0 5.0 0.0 ! 050407

assign (residue 4 and name HA) (residue 5 and name HN) 3.5 3.5 0.0 ! 050407

assign (residue 4 and name HB#) (residue 5 and name HN) 3.5 3.5 0.0 ! 050407

assign (residue 4 and name HB#) (residue 5 and name HA) 6.0 6.0 0.0 ! 131107

assign (residue 4 and name HB#) (residue 6 and name HG2#) 5.0 5.0 0.0 ! 131107

assign (residue 4 and name HA) (residue 13 and name HN) 6.0 6.0 0.0 ! 

assign (residue 4 and name HB#) (residue 13 and name HN) 5.0 5.0 0.0 ! 050407


!T5

assign (residue 5 and name HN) (residue 5 and name HA) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HN) (residue 5 and name HB) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HN) (residue 5 and name HG2#) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HA) (residue 6 and name HN) 2.5 2.5 0.0 ! 100407 ! changed 140208

assign (residue 5 and name HB) (residue 6 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HG2#) (residue 6 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HN) (residue 13 and name HA) 6.0 6.0 0.0 ! 131107

assign (residue 5 and name HA) (residue 37 and name HN) 6.0 6.0 0.0 ! 100407

assign (residue 5 and name HG2#) (residue 37 and name HN) 6.0 6.0 0.0 ! 100407

assign (residue 5 and name HG2#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100407


!T6

assign (residue 6 and name HN) (residue 6 and name HA) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HN) (residue 6 and name HB) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HN) (residue 6 and name HG2#) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HA) (residue 7 and name HN) 2.5 2.5 0.0 ! 100407

assign (residue 6 and name HB) (residue 7 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 7 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HA) (residue 10 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 12 and name HA) 6.0 6.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 13 and name HN) 6.0 6.0 0.0 ! 141107


!G7

assign (residue 7 and name HN) (residue 7 and name HA#) 5.0 5.0 0.0 ! 100407

assign (residue 7 and name HN) (residue 8 and name HD#) 6.0 6.0 0.0 ! 100407

assign (residue 7 and name HA#) (residue 8 and name HD#) 3.5 3.5 0.0 ! 100407

assign (residue 7 and name HN) (residue 10 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 7 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 7 and name HA#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100407


!P8

assign (residue 8 and name HA) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HB#) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HG#) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HD#) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HB#) (residue 22 and name HA) 6.0 6.0 0.0 ! 100407

assign (residue 8 and name HB#) (residue 22 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HG#) (residue 22 and name HB#) 6.0 6.0 0.0 ! 100407 ! changed 140208

assign (residue 8 and name HD#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HD#) (residue 38 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HG#) (residue 39 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HD#) (residue 39 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HB#) (residue 39 and name HB#) 5.0 5.0 0.0 ! 050906

assign (residue 8 and name HG#) (residue 39 and name HB#) 5.0 5.0 0.0 ! 050906


!C9

assign (residue 9 and name HN) (residue 9 and name HA) 5.0 5.0 0.0 ! 100407

assign (residue 9 and name HN) (residue 9 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 9 and name HN) (residue 10 and name HN) 3.5 3.5 0.0 ! 100407

assign (residue 9 and name HA) (residue 10 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 10 and name HN) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 15 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HA) (residue 16 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HA) (residue 16 and name HG#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HA) (residue 16 and name HD#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HA) (residue 16 and name HE#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 37 and name HA) 3.5 3.5 0.0 ! 110407

assign (residue 9 and name HN) (residue 38 and name HA) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 38 and name HN) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 38 and name HA) 6.0 6.0 0.0 ! 141107

assign (residue 9 and name HB#) (residue 39 and name HA) 6.0 6.0 0.0 ! 110407



!C10

assign (residue 10 and name HN) (residue 10 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 10 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 11 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 11 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806 ! changed 200906

assign (residue 10 and name HB#) (residue 11 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 140208

assign (residue 10 and name HB#) (residue 13 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 14 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 14 and name HN) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 15 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 15 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 15 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 15 and name HB#) 6.0 6.0 0.0 ! 141107

assign (residue 10 and name HA) (residue 15 and name HD#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 15 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 15 and name HB#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 15 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 16 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 16 and name HG#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 16 and name HE#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 10 and name HA) (residue 16 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HG#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HE#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 16 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 37 and name HA) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 37 and name HB#) 6.0 6.0 0.0 ! 110407


!R11

assign (residue 11 and name HN) (residue 11 and name HA) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 11 and name HB#) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 11 and name HG#) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 11 and name HD#) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HA) (residue 12 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 11 and name HB#) (residue 12 and name HN) 6.0 6.0 0.0 ! 191107

assign (residue 11 and name HG#) (residue 12 and name HN) 6.0 6.0 0.0 ! 191107

assign (residue 11 and name HA) (residue 13 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 14 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 11 and name HN) (residue 14 and name HB#) 5.0 5.0 0.0 ! 031207

assign (residue 11 and name HN) (residue 15 and name HA) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 15 and name HD#) 6.0 6.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 16 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 16 and name HG#) 5.0 5.0 0.0 ! 191107

assign (residue 11 and name HN) (residue 16 and name HE#) 5.0 5.0 0.0 ! 230407


!Q12

assign (residue 12 and name HN) (residue 12 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 12 and name HN) (residue 12 and name HB#) 5.0 5.0 0.0 ! 191107

assign (residue 12 and name HN) (residue 12 and name HG#) 5.0 5.0 0.0 ! 191107

assign (residue 12 and name HN) (residue 13 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 12 and name HA) (residue 13 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 12 and name HB#) (residue 13 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 12 and name HG#) (residue 13 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 12 and name HA) (residue 14 and name HN) 6.0 6.0 0.0 ! 191107

assign (residue 12 and name HB#) (residue 14 and name HN) 6.0 6.0 0.0 ! 191107 ! changed 250208


!C13

assign (residue 13 and name HN) (residue 13 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 13 and name HN) (residue 13 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 13 and name HN) (residue 14 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 13 and name HN) (residue 14 and name HG#) 6.0 6.0 0.0 ! 031207

assign (residue 13 and name HA) (residue 14 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 13 and name HB#) (residue 14 and name HN) 5.0 5.0 0.0 ! 240407



!K14

assign (residue 14 and name HN) (residue 14 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HN) (residue 14 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HN) (residue 14 and name HG#) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HN) (residue 15 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HA) (residue 15 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 14 and name HB#) (residue 15 and name HN) 5.0 5.0 0.0 ! 120407 ! changed 140208

assign (residue 14 and name HG#) (residue 15 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HN) (residue 16 and name HA) 6.0 6.0 0.0 ! 240407


!L15

assign (residue 15 and name HN) (residue 15 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HN) (residue 15 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HN) (residue 15 and name HG) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HN) (residue 15 and name HD#) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HA) (residue 16 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 15 and name HA) (residue 16 and name HG#) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HB#) (residue 16 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 16 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 18 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 34 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HB#) (residue 34 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 35 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 35 and name HA) 5.0 5.0 0.0 ! 191107

assign (residue 15 and name HB#) (residue 36 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 36 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 36 and name HA) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 36 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HB#) (residue 37 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 37 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 37 and name HA) 5.0 5.0 0.0 ! 191107

assign (residue 15 and name HD#) (residue 38 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 201207




!K16

assign (residue 16 and name HN) (residue 16 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 16 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 16 and name HG#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 16 and name HD#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 17 and name HD#) 6.0 6.0 0.0 ! 191107

assign (residue 16 and name HA) (residue 17 and name HD#) 2.5 2.5 0.0 ! 120407

assign (residue 16 and name HG#) (residue 17 and name HD#) 6.0 6.0 0.0 ! 240407

assign (residue 16 and name HA) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HB#) (residue 20 and name HB) 5.0 5.0 0.0 ! 191107

assign (residue 16 and name HB#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 191107

assign (residue 16 and name HD#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HE#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HB#) (residue 32 and name HB#) 6.0 6.0 0.0 ! 191107



!P17

assign (residue 17 and name HA) (residue 18 and name HN) 2.2 2.2 0.0 ! 120407

assign (residue 17 and name HB#) (residue 18 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 17 and name HG#) (residue 18 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 17 and name HA) (residue 18 and name HB#) 5.0 5.0 0.0 ! 191107

assign (residue 17 and name HB#) (residue 18 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 17 and name HB#) (residue 19 and name HN) 6.0 6.0 0.0 ! 191107 

assign (residue 17 and name HB#) (residue 20 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 17 and name HG#) (residue 20 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 17 and name HD#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407



!A18

assign (residue 18 and name HN) (residue 18 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 18 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 19 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 19 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 18 and name HB#) (residue 19 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 19 and name HA#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 19 and name HA#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 20 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 20 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 20 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 32 and name HB#) 6.0 6.0 0.0 !

assign (residue 18 and name HA) (residue 32 and name HN) 6.0 6.0 0.0 ! 240407 ! changed 140208

assign (residue 18 and name HA) (residue 33 and name HN) 6.0 6.0 0.0 ! 240407 ! changed 191107

assign (residue 18 and name HA) (residue 33 and name HA) 6.0 6.0 0.0 ! 191107

assign (residue 18 and name HA) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 33 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 33 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 34 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 34 and name HA#) 3.5 3.5 0.0 ! 120407

assign (residue 18 and name HA) (residue 34 and name HA#) 5.0 5.0 0.0 ! 191107

assign (residue 18 and name HB#) (residue 34 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 18 and name HB#) (residue 34 and name HA#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 35 and name HN) 6.0 6.0 0.0 ! 191107



!G19

assign (residue 19 and name HN) (residue 19 and name HA#) 5.0 5.0 0.0 ! 250407

assign (residue 19 and name HN) (residue 20 and name HN) 3.5 3.5 0.0 ! 250407

assign (residue 19 and name HA#) (residue 20 and name HN) 3.5 3.5 0.0 ! 250407

assign (residue 19 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 250407 ! changed 080208

assign (residue 19 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 120407

assign (residue 19 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 191107

assign (residue 19 and name HA#) (residue 31 and name HB#) 5.0 5.0 0.0 ! 120407

assign (residue 19 and name HA#) (residue 31 and name HD#) 5.0 5.0 0.0 ! 120407

assign (residue 19 and name HA#) (residue 31 and name HE#) 6.0 6.0 0.0 ! 120407 ! changed 080208

assign (residue 19 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 250407

assign (residue 19 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 191107

assign (residue 19 and name HA#) (residue 32 and name HN) 5.0 5.0 0.0 ! 250407

assign (residue 19 and name HN) (residue 33 and name HA) 5.0 5.0 0.0 ! 120407


!T20

assign (residue 20 and name HN) (residue 20 and name HA) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 20 and name HB) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 21 and name HN) 5.0 5.0 0.0 ! 250407

assign (residue 20 and name HN) (residue 21 and name HG2#) 6.0 6.0 0.0 ! 250407

assign (residue 20 and name HA) (residue 21 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 20 and name HB) (residue 21 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HG2#) (residue 21 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HG2#) (residue 21 and name HA) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 21 and name HB) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 22 and name HA) 6.0 6.0 0.0 ! 191107

assign (residue 20 and name HG2#) (residue 22 and name HB#) 6.0 6.0 0.0 ! 191107

assign (residue 20 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 030507 ! changed 080208

assign (residue 20 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 191107

assign (residue 20 and name HA) (residue 31 and name HD#) 6.0 6.0 0.0 ! 030507 ! changed 080208

assign (residue 20 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 32 and name HA) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HA) (residue 32 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HB) (residue 32 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HB) (residue 32 and name HB#) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 32 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 32 and name HB#) 5.0 5.0 0.0 ! 310806



!T21

assign (residue 21 and name HN) (residue 21 and name HA) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HN) (residue 21 and name HB) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HN) (residue 21 and name HG2#) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HA) (residue 22 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 21 and name HB) (residue 22 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HG2#) (residue 22 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HG2#) (residue 22 and name HA) 5.0 5.0 0.0 ! 031207

assign (residue 21 and name HG2#) (residue 23 and name HN) 5.0 5.0 0.0 ! 140208

assign (residue 21 and name HG2#) (residue 24 and name HD#) 5.0 5.0 0.0 ! 230108

assign (residue 21 and name HG2#) (residue 24 and name HE) 6.0 6.0 0.0 ! 201107

assign (residue 21 and name HG2#) (residue 29 and name HB#) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HA) (residue 30 and name HN) 6.0 6.0 0.0 ! 030507 ! changed 080208

assign (residue 21 and name HG2#) (residue 30 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 080208

assign (residue 21 and name HA) (residue 31 and name HA) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HA) (residue 31 and name HD#) 3.5 3.5 0.0 ! 050507 ! changed 080208

assign (residue 21 and name HA) (residue 31 and name HE#) 5.0 5.0 0.0 ! 201107 

assign (residue 21 and name HB) (residue 31 and name HD#) 6.0 6.0 0.0 ! 050507 ! changed 201107

assign (residue 21 and name HB) (residue 31 and name HE#) 6.0 6.0 0.0 ! 050507 ! changed 201107

assign (residue 21 and name HG2#) (residue 31 and name HA) 6.0 6.0 0.0 ! 050507 ! changed 080208

assign (residue 21 and name HG2#) (residue 31 and name HD#) 5.0 5.0 0.0 ! 120407

assign (residue 21 and name HG2#) (residue 31 and name HE#) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HA) (residue 32 and name HN) 3.5 3.5 0.0 ! 050507

assign (residue 21 and name HG2#) (residue 32 and name HN) 5.0 5.0 0.0 ! 050507



!C22

assign (residue 22 and name HN) (residue 22 and name HA) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HN) (residue 22 and name HB#) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HN) (residue 23 and name HN) 5.0 5.0 0.0 ! 201107

assign (residue 22 and name HA) (residue 23 and name HN) 5.0 5.0 0.0 ! 201107

assign (residue 22 and name HN) (residue 30 and name HN) 6.0 6.0 0.0 ! 201107

assign (residue 22 and name HN) (residue 31 and name HA) 5.0 5.0 0.0 ! 120407 ! changed 080208

assign (residue 22 and name HN) (residue 31 and name HD#) 6.0 6.0 0.0 ! 070507 ! changed 080208

assign (residue 22 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HB#) (residue 32 and name HN) 6.0 6.0 0.0 ! 070507 ! changed 140208

assign (residue 22 and name HA) (residue 39 and name HB#) 6.0 6.0 0.0 ! 201107

assign (residue 22 and name HB#) (residue 39 and name HA) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HB#) (residue 39 and name HB#) 6.0 6.0 0.0 ! 070507 ! changed 140208



!W23

assign (residue 23 and name HA) (residue 24 and name HN) 3.5 3.5 0.0 ! 201107

assign (residue 23 and name HD1) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 070507 ! changed 201207

assign (residue 23 and name HE1) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 120407

assign (residue 23 and name HZ2) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HH2) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 201107 ! changed 201207

assign (residue 23 and name HB#) (residue 30 and name HN) 5.0 5.0 0.0 ! 240108

assign (residue 23 and name HB#) (residue 30 and name HB#) 6.0 6.0 0.0 ! 201107

assign (residue 23 and name HB#) (residue 30 and name HD2) 6.0 6.0 0.0 ! 070507 ! changed 201107




!R24

assign (residue 24 and name HN) (residue 24 and name HA) 5.0 5.0 0.0 ! 221107

assign (residue 24 and name HN) (residue 24 and name HB#) 5.0 5.0 0.0 ! 221107

assign (residue 24 and name HA) (residue 25 and name HN) 3.5 3.5 0.0 ! 221107

assign (residue 24 and name HB#) (residue 25 and name HN) 5.0 5.0 0.0 ! 221107

assign (residue 24 and name HG#) (residue 25 and name HN) 5.0 5.0 0.0 ! 230108

assign (residue 24 and name HA) (residue 28 and name HN) 6.0 6.0 0.0 ! 221107 ! changed 140208

assign (residue 24 and name HA) (residue 30 and name HN) 6.0 6.0 0.0 ! 221107 ! changed 080208

assign (residue 24 and name HA) (residue 30 and name HD2) 6.0 6.0 0.0 ! 221107





!T25

assign (residue 25 and name HN) (residue 25 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 25 and name HB) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 26 and name HN) 5.0 5.0 0.0 ! 221107

assign (residue 25 and name HA) (residue 26 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 25 and name HG2#) (residue 26 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 27 and name HN) 6.0 6.0 0.0 ! 080507 ! changed 201207

assign (residue 25 and name HN) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507 ! changed 201207 ! changed 140208



!S26

assign (residue 26 and name HN) (residue 26 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HN) (residue 26 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HN) (residue 27 and name HN) 3.5 3.5 0.0 ! 120407 ! changed 201207

assign (residue 26 and name HA) (residue 27 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 201207

assign (residue 26 and name HB#) (residue 27 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HA) (residue 27 and name HG#) 6.0 6.0 0.0 ! 221107

assign (residue 26 and name HB#) (residue 27 and name HG1#) 6.0 6.0 0.0 ! 221107 ! changed 201207

assign (residue 26 and name HB#) (residue 27 and name HG2#) 6.0 6.0 0.0 ! 221107 ! changed 201207

assign (residue 26 and name HN) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HB#) (residue 28 and name HN) 6.0 6.0 0.0 ! 221107



!V27

assign (residue 27 and name HN) (residue 27 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HN) (residue 27 and name HB) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HN) (residue 27 and name HG#) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HN) (residue 28 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 27 and name HA) (residue 28 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 201207

assign (residue 27 and name HB) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HG#) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HG1#) (residue 28 and name HB#) 5.0 5.0 0.0 ! 080507 ! changed 201207

assign (residue 27 and name HG2#) (residue 28 and name HB#) 5.0 5.0 0.0 ! 080507 ! changed 201207



!S28

assign (residue 28 and name HN) (residue 28 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 28 and name HN) (residue 28 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 28 and name HA) (residue 29 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 140208

assign (residue 28 and name HB#) (residue 29 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 28 and name HB#) (residue 30 and name HD2) 6.0 6.0 0.0 ! 281107




!S29

assign (residue 29 and name HN) (residue 29 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HN) (residue 29 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HN) (residue 30 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HA) (residue 30 and name HN) 3.5 3.5 0.0 ! 080507

assign (residue 29 and name HN) (residue 30 and name HD2) 6.0 6.0 0.0 ! 281107 ! changed 080208

assign (residue 29 and name HB#) (residue 30 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HB#) (residue 31 and name HE#) 6.0 6.0 0.0 ! 281107 ! changed 080208




!H30

assign (residue 30 and name HN) (residue 30 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HN) (residue 30 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HN) (residue 30 and name HD2) 5.0 5.0 0.0 ! 281107

assign (residue 30 and name HA) (residue 31 and name HN) 3.5 3.5 0.0 ! 090507

assign (residue 30 and name HA) (residue 31 and name HD#) 5.0 5.0 0.0 ! 080208

assign (residue 30 and name HB#) (residue 31 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HB#) (residue 40 and name HD#) 6.0 6.0 0.0 ! 291107

assign (residue 30 and name HB#) (residue 40 and name HG#) 6.0 6.0 0.0 ! 291107

assign (residue 30 and name HE1) (residue 41 and name HA) 5.0 5.0 0.0 ! 120407

assign (residue 30 and name HE1) (residue 41 and name HB#) 6.0 6.0 0.0 ! 090507 ! changed 080208

assign (residue 30 and name HE1) (residue 42 and name HN) 6.0 6.0 0.0 ! 090507 ! changed 080208

assign (residue 30 and name HD2) (residue 43 and name HA) 6.0 6.0 0.0 ! 080208

assign (residue 30 and name HD2) (residue 43 and name HB#) 6.0 6.0 0.0 ! 291107 ! changed 080208

assign (residue 30 and name HA) (residue 44 and name HN) 6.0 6.0 0.0 ! 291107




!Y31

assign (residue 31 and name HN) (residue 31 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HN) (residue 32 and name HN) 6.0 6.0 0.0 ! 090507 ! changed 080208

assign (residue 31 and name HA) (residue 32 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 080208

assign (residue 31 and name HB#) (residue 32 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HD#) (residue 32 and name HN) 5.0 5.0 0.0 ! 090507




!C32

assign (residue 32 and name HN) (residue 32 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HN) (residue 33 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 33 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 140208

assign (residue 32 and name HA) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HB#) (residue 33 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HN) (residue 34 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 34 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HB#) (residue 34 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 39 and name HA) 6.0 6.0 0.0 ! changed 140208 

assign (residue 32 and name HA) (residue 40 and name HG#) 5.0 5.0 0.0 ! 291107

assign (residue 32 and name HA) (residue 40 and name HD#) 5.0 5.0 0.0 ! 090507



!T33

assign (residue 33 and name HN) (residue 33 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 33 and name HB) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 34 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 33 and name HN) (residue 34 and name HA#) 6.0 6.0 0.0 ! 090507 ! changed 291107

assign (residue 33 and name HA) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HB) (residue 34 and name HN) 6.0 6.0 0.0 ! 291107

assign (residue 33 and name HG2#) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HN) (residue 35 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 33 and name HB) (residue 35 and name HN) 5.0 5.0 0.0 ! 291107

assign (residue 33 and name HG1) (residue 35 and name HN) 5.0 5.0 0.0 ! 291107

assign (residue 33 and name HG1) (residue 35 and name HB#) 5.0 5.0 0.0 ! 291107 ! changed 201207

assign (residue 33 and name HG2#) (residue 35 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 36 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HG1) (residue 36 and name HN) 5.0 5.0 0.0 ! 201207

assign (residue 33 and name HG2#) (residue 36 and name HN) 6.0 6.0 0.0 ! 090507 ! changed 291107

assign (residue 33 and name HG2#) (residue 36 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 39 and name HA) 6.0 6.0 0.0 ! 090507 ! changed 291107

assign (residue 33 and name HG2#) (residue 39 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 40 and name HG#) 6.0 6.0 0.0 ! 291107

assign (residue 33 and name HN) (residue 40 and name HD#) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HG2#) (residue 40 and name HG#) 5.0 5.0 0.0 ! 120407

assign (residue 33 and name HG2#) (residue 40 and name HD#) 5.0 5.0 0.0 ! 120407

assign (residue 33 and name HG2#) (residue 42 and name HE#) 6.0 6.0 0.0 ! 291107 ! changed 080208 ! changed 250208



!G34

assign (residue 34 and name HN) (residue 34 and name HA#) 5.0 5.0 0.0 ! 100507

assign (residue 34 and name HN) (residue 35 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 34 and name HA#) (residue 35 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 34 and name HN) (residue 36 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 34 and name HA#) (residue 36 and name HN) 5.0 5.0 0.0 ! 100507



!R35

assign (residue 35 and name HN) (residue 35 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HN) (residue 35 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HN) (residue 35 and name HG#) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HN) (residue 36 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 140208

assign (residue 35 and name HN) (residue 36 and name HB#) 6.0 6.0 0.0 ! 100507 ! changed 291107

assign (residue 35 and name HA) (residue 36 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 35 and name HB#) (residue 36 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HG#) (residue 36 and name HN) 5.0 5.0 0.0 ! 100507



!S36

assign (residue 36 and name HN) (residue 36 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HN) (residue 36 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HN) (residue 37 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HA) (residue 37 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 140208

assign (residue 36 and name HB#) (residue 37 and name HN) 3.5 3.5 0.0 ! 100507 ! changed 140208

assign (residue 36 and name HN) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HA) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HB#) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507



!C37

assign (residue 37 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 37 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 37 and name HN) (residue 38 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 140208

assign (residue 37 and name HA) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 37 and name HB#) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507




!E38

assign (residue 38 and name HN) (residue 38 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HN) (residue 38 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HN) (residue 38 and name HG#) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HN) (residue 39 and name HN) 5.0 5.0 0.0 ! 291107

assign (residue 38 and name HA) (residue 39 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 38 and name HB#) (residue 39 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HG#) (residue 39 and name HN) 5.0 5.0 0.0 ! 100507



!C39

assign (residue 39 and name HN) (residue 39 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 39 and name HN) (residue 39 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 39 and name HA) (residue 40 and name HB#) 6.0 6.0 0.0 ! 301107

assign (residue 39 and name HA) (residue 40 and name HG#) 5.0 5.0 0.0 ! 301107

assign (residue 39 and name HA) (residue 40 and name HD#) 3.5 3.5 0.0 ! 120407

assign (residue 39 and name HB#) (residue 40 and name HD#) 6.0 6.0 0.0 ! 301107




!P40

assign (residue 40 and name HA) (residue 41 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 140208

assign (residue 40 and name HB#) (residue 41 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 40 and name HA) (residue 42 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 40 and name HB#) (residue 42 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 40 and name HB#) (residue 42 and name HE#) 5.0 5.0 0.0 ! 301107



!S41

assign (residue 41 and name HN) (residue 41 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 41 and name HN) (residue 41 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 41 and name HN) (residue 42 and name HN) 3.5 3.5 0.0 ! 100507

assign (residue 41 and name HA) (residue 42 and name HN) 3.5 3.5 0.0 ! 100507

assign (residue 41 and name HB#) (residue 42 and name HN) 5.0 5.0 0.0 ! 100507




!Y42

assign (residue 42 and name HN) (residue 42 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HN) (residue 42 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HN) (residue 42 and name HD#) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HA) (residue 43 and name HD#) 3.5 3.5 0.0 ! 120407

assign (residue 42 and name HD#) (residue 43 and name HD#) 6.0 6.0 0.0 ! 301107



!P43

assign (residue 43 and name HA) (residue 44 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 43 and name HB#) (residue 44 and name HN) 5.0 5.0 0.0 ! 301107

assign (residue 43 and name HG#) (residue 44 and name HN) 6.0 6.0 0.0 ! 301107



!G44

assign (residue 44 and name HN) (residue 44 and name HA#) 5.0 5.0 0.0 ! 100507




! AMBIGUOUS CONSTRAINTS




assign (residue 9 and name HB#) ((residue 16 and name HB#) or (residue 16 and name HD#)) 6.0 6.0 0.0 ! 031207

assign (residue 13 and name HN) ((residue 14 and name HB#) or (residue 16 and name HD#)) 5.0 5.0 0.0 ! 191107

assign (residue 23 and name HZ3) ((residue 28 and name HB#) or (residue 44 and name HA#)) 5.0 5.0 0.0 ! 201107

assign (residue 23 and name HH2) ((residue 28 and name HB#) or (residue 44 and name HA#)) 6.0 6.0 0.0 ! 201107

assign (residue 26 and name HB#) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 031207 ! changed 201207

assign (residue 27 and name HN) ((residue 25 and name HA) or (residue 25 and name HB)) 5.0 5.0 0.0 ! 221107 ! changed 201207 ! changed 080208

assign (residue 28 and name HN) ((residue 25 and name HA) or (residue 25 and name HB)) 5.0 5.0 0.0 ! 221107

assign (residue 31 and name HD#) ((residue 28 and name HB#) or (residue 44 and name HA#)) 5.0 5.0 0.0 ! 291107

assign (residue 31 and name HE#) ((residue 28 and name HB#) or (residue 44 and name HA#)) 5.0 5.0 0.0 ! 291107

assign (residue 44 and name HN) ((residue 31 and name HD#) or (residue 30 and name HD2)) 6.0 6.0 0.0 ! 291107









  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1 -14.882   8.645   0.121
    2    H2   ALA   1           H3       ALA   1 -14.796   8.094   1.742
    3    H3   ALA   1           H2       ALA   1 -15.951   7.419   0.668
    4    HA   ALA   1           HA       ALA   1 -17.227   9.288   0.635
    5    HB2  ALA   1           HB1      ALA   1 -16.156   8.635   3.348
    6    HB3  ALA   1           HB2      ALA   1 -17.728   8.259   2.643
    7    HB1  ALA   1           HB3      ALA   1 -17.362   9.907   3.151

  No H/Q in entry =           7
  In of MODEL    1
    1    H    MET   2           H        MET   2 -14.311  10.094   2.527
    2    HA   MET   2           HA       MET   2 -14.382  12.774   1.318
    3    HB2  MET   2           HB2      MET   2 -14.036  12.056   4.221
    4    HB3  MET   2           HB3      MET   2 -13.460  13.585   3.573
    5    HG2  MET   2           HG2      MET   2 -15.531  14.443   3.383
    6    HG3  MET   2           HG3      MET   2 -16.251  12.895   2.945
    7    HE3  MET   2           HE1      MET   2 -18.251  14.154   4.551
    8    HE2  MET   2           HE2      MET   2 -18.490  13.103   5.946
    9    HE1  MET   2           HE3      MET   2 -18.226  12.402   4.349

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ASP   3           H        ASP   3 -12.225  11.174   3.650
    2    HA   ASP   3           HA       ASP   3  -9.868  12.142   2.472
    3    HB2  ASP   3           HB2      ASP   3 -10.427   9.893   4.395
    4    HB3  ASP   3           HB3      ASP   3  -8.794  10.233   3.831

  No H/Q in entry =           4
  In of MODEL    1
    1    H    CYS   4           H        CYS   4  -9.360  11.709   0.415
    2    HA   CYS   4           HA       CYS   4  -9.989   9.212  -0.844
    3    HB2  CYS   4           HB2      CYS   4  -8.766  11.785  -1.657
    4    HB3  CYS   4           HB3      CYS   4  -8.280  10.370  -2.585

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR   5           H        THR   5  -7.189  10.615   0.701
    2    HA   THR   5           HA       THR   5  -5.156   9.765   1.268
    3    HB   THR   5           HB       THR   5  -5.963   6.974   0.634
    4    HG1  THR   5           HG1      THR   5  -7.137   8.423   2.766
    5   HG22  THR   5          HG21      THR   5  -4.982   8.080   3.240
    6   HG21  THR   5          HG22      THR   5  -3.888   7.644   1.927
    7   HG23  THR   5          HG23      THR   5  -4.926   6.418   2.654

  No H/Q in entry =           7
  In of MODEL    1
    1    H    THR   6           H        THR   6  -4.056  10.658  -0.488
    2    HA   THR   6           HA       THR   6  -3.793   9.082  -2.921
    3    HB   THR   6           HB       THR   6  -2.144  11.509  -2.601
    4    HG1  THR   6           HG1      THR   6  -4.966  11.579  -2.470
    5   HG22  THR   6          HG21      THR   6  -3.343  12.065  -4.770
    6   HG21  THR   6          HG22      THR   6  -3.987  10.425  -4.697
    7   HG23  THR   6          HG23      THR   6  -2.245  10.686  -4.782

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY   7           H        GLY   7  -1.758   8.410  -3.763
    2    HA3  GLY   7           HA2      GLY   7   0.751   8.602  -2.901
    3    HA2  GLY   7           HA3      GLY   7   0.071   7.561  -1.659

  No H/Q in entry =           3
  In of MODEL    1
    1    HA   PRO   8           HA       PRO   8   1.559   4.814  -5.068
    2    HB2  PRO   8           HB2      PRO   8   2.889   3.060  -3.518
    3    HB3  PRO   8           HB3      PRO   8   3.609   4.590  -4.034
    4    HG2  PRO   8           HG2      PRO   8   2.346   3.879  -1.415
    5    HG3  PRO   8           HG3      PRO   8   3.831   4.795  -1.729
    6    HD2  PRO   8           HD2      PRO   8   1.436   5.966  -1.140
    7    HD3  PRO   8           HD3      PRO   8   2.689   6.746  -2.125

  No H/Q in entry =           7
  In of MODEL    1
    1    H    CYS   9           H        CYS   9   0.402   3.788  -1.855
    2    HA   CYS   9           HA       CYS   9  -1.000   1.542  -3.105
    3    HB2  CYS   9           HB2      CYS   9   0.502   1.541  -0.881
    4    HB3  CYS   9           HB3      CYS   9  -1.058   1.918  -0.159

  No H/Q in entry =           4
  In of MODEL    1
    1    H    CYS  10           H        CYS  10  -2.353   3.461  -3.998
    2    HA   CYS  10           HA       CYS  10  -4.734   3.649  -2.303
    3    HB2  CYS  10           HB2      CYS  10  -3.847   6.047  -3.881
    4    HB3  CYS  10           HB3      CYS  10  -4.988   5.966  -2.543

  No H/Q in entry =           4
  In of MODEL    1
    1    H    ARG  11           H        ARG  11  -6.607   3.359  -3.378
    2    HA   ARG  11           HA       ARG  11  -6.479   2.575  -6.141
    3    HB2  ARG  11           HB2      ARG  11  -7.946   1.564  -4.270
    4    HB3  ARG  11           HB3      ARG  11  -9.015   2.929  -4.563
    5    HG2  ARG  11           HG2      ARG  11  -9.413   2.237  -6.805
    6    HG3  ARG  11           HG3      ARG  11  -8.152   1.006  -6.708
    7    HD2  ARG  11           HD2      ARG  11  -9.430  -0.238  -5.084
    8    HD3  ARG  11           HD3      ARG  11 -10.649   1.034  -5.019
    9    HE   ARG  11           HE       ARG  11 -10.635   0.322  -7.629
   10   HH11  ARG  11          HH11      ARG  11 -10.945  -1.486  -4.660
   11   HH12  ARG  11          HH12      ARG  11 -11.937  -2.717  -5.367
   12   HH21  ARG  11          HH21      ARG  11 -11.940  -1.296  -8.560
   13   HH22  ARG  11          HH22      ARG  11 -12.501  -2.610  -7.582

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLN  12           H        GLN  12  -5.694   4.818  -6.725
    2    HA   GLN  12           HA       GLN  12  -6.064   6.707  -7.937
    3    HB2  GLN  12           HB2      GLN  12  -9.009   6.068  -7.840
    4    HB3  GLN  12           HB3      GLN  12  -8.166   7.065  -9.017
    5    HG2  GLN  12           HG2      GLN  12  -7.179   5.214 -10.050
    6    HG3  GLN  12           HG3      GLN  12  -7.544   4.153  -8.691
    7   HE21  GLN  12          HE21      GLN  12  -8.698   2.639  -9.775
    8   HE22  GLN  12          HE22      GLN  12 -10.214   2.947 -10.543

  No H/Q in entry =           8
  In of MODEL    1
    1    H    CYS  13           H        CYS  13  -8.971   6.497  -5.909
    2    HA   CYS  13           HA       CYS  13  -8.077   8.886  -4.462
    3    HB2  CYS  13           HB2      CYS  13  -9.966   9.082  -6.409
    4    HB3  CYS  13           HB3      CYS  13 -10.976   8.759  -5.005

  No H/Q in entry =           4
  In of MODEL    1
    1    H    LYS  14           H        LYS  14  -8.029   6.126  -3.691
    2    HA   LYS  14           HA       LYS  14  -9.432   6.352  -1.187
    3    HB2  LYS  14           HB2      LYS  14 -10.199   4.231  -3.193
    4    HB3  LYS  14           HB3      LYS  14 -10.560   4.107  -1.476
    5    HG2  LYS  14           HG2      LYS  14 -11.809   6.261  -1.664
    6    HG3  LYS  14           HG3      LYS  14 -11.574   6.175  -3.411
    7    HD2  LYS  14           HD2      LYS  14 -12.560   3.706  -2.920
    8    HD3  LYS  14           HD3      LYS  14 -13.375   4.635  -1.660
    9    HE2  LYS  14           HE2      LYS  14 -13.334   5.483  -4.546
   10    HE3  LYS  14           HE3      LYS  14 -14.585   4.436  -3.878
   11    HZ1  LYS  14           HZ1      LYS  14 -14.053   6.893  -2.417
   12    HZ3  LYS  14           HZ2      LYS  14 -15.524   6.129  -2.751
   13    HZ2  LYS  14           HZ3      LYS  14 -14.777   7.078  -3.935

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LEU  15           H        LEU  15  -9.072   4.247   0.124
    2    HA   LEU  15           HA       LEU  15  -6.255   3.769   0.158
    3    HB2  LEU  15           HB2      LEU  15  -8.573   3.126   1.848
    4    HB3  LEU  15           HB3      LEU  15  -7.297   1.924   1.883
    5    HG   LEU  15           HG       LEU  15  -6.859   4.855   2.446
    6   HD13  LEU  15          HD11      LEU  15  -8.240   4.101   4.195
    7   HD12  LEU  15          HD12      LEU  15  -6.594   4.009   4.822
    8   HD11  LEU  15          HD13      LEU  15  -7.416   2.544   4.283
    9   HD23  LEU  15          HD21      LEU  15  -5.094   2.502   3.082
   10   HD22  LEU  15          HD22      LEU  15  -4.702   4.217   3.198
   11   HD21  LEU  15          HD23      LEU  15  -4.927   3.469   1.617

  No H/Q in entry =          11
  In of MODEL    1
    1    H    LYS  16           H        LYS  16  -5.169   2.271  -0.924
    2    HA   LYS  16           HA       LYS  16  -6.369   0.449  -2.682
    3    HB2  LYS  16           HB2      LYS  16  -4.075   1.259  -2.964
    4    HB3  LYS  16           HB3      LYS  16  -3.583   0.409  -1.506
    5    HG2  LYS  16           HG2      LYS  16  -2.896  -1.091  -3.063
    6    HG3  LYS  16           HG3      LYS  16  -4.546  -1.670  -2.823
    7    HD2  LYS  16           HD2      LYS  16  -4.198  -1.569  -5.167
    8    HD3  LYS  16           HD3      LYS  16  -5.220  -0.191  -4.752
    9    HE2  LYS  16           HE2      LYS  16  -3.598   1.329  -5.225
   10    HE3  LYS  16           HE3      LYS  16  -2.293   0.251  -4.732
   11    HZ2  LYS  16           HZ1      LYS  16  -3.616   0.505  -7.325
   12    HZ1  LYS  16           HZ2      LYS  16  -3.094  -1.037  -6.866
   13    HZ3  LYS  16           HZ3      LYS  16  -1.984   0.236  -6.966

  No H/Q in entry =          13
  In of MODEL    1
    1    HA   PRO  17           HA       PRO  17  -7.617  -2.854  -0.005
    2    HB2  PRO  17           HB2      PRO  17  -7.459  -4.921  -1.807
    3    HB3  PRO  17           HB3      PRO  17  -8.807  -3.783  -1.720
    4    HG2  PRO  17           HG2      PRO  17  -6.450  -3.792  -3.562
    5    HG3  PRO  17           HG3      PRO  17  -8.152  -3.447  -3.922
    6    HD2  PRO  17           HD2      PRO  17  -6.344  -1.481  -3.639
    7    HD3  PRO  17           HD3      PRO  17  -8.021  -1.290  -3.086

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  18           H        ALA  18  -6.672  -4.361   1.293
    2    HA   ALA  18           HA       ALA  18  -3.921  -4.471   1.575
    3    HB1  ALA  18           HB1      ALA  18  -5.904  -5.239   3.135
    4    HB2  ALA  18           HB2      ALA  18  -4.281  -5.904   3.318
    5    HB3  ALA  18           HB3      ALA  18  -5.517  -6.820   2.456

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  19           H        GLY  19  -2.310  -5.824   0.900
    2    HA3  GLY  19           HA2      GLY  19  -1.606  -7.963  -0.023
    3    HA2  GLY  19           HA3      GLY  19  -3.066  -7.953  -1.000

  No H/Q in entry =           3
  In of MODEL    1
    1    H    THR  20           H        THR  20  -2.333  -4.900  -1.300
    2    HA   THR  20           HA       THR  20  -1.071  -5.239  -3.849
    3    HB   THR  20           HB       THR  20  -1.460  -2.600  -2.460
    4    HG1  THR  20           HG1      THR  20  -3.455  -3.349  -2.248
    5   HG22  THR  20          HG21      THR  20  -1.735  -3.392  -5.348
    6   HG21  THR  20          HG22      THR  20  -0.359  -2.548  -4.638
    7   HG23  THR  20          HG23      THR  20  -1.943  -1.773  -4.681

  No H/Q in entry =           7
  In of MODEL    1
    1    H    THR  21           H        THR  21   1.036  -5.470  -4.145
    2    HA   THR  21           HA       THR  21   2.970  -5.119  -2.141
    3    HB   THR  21           HB       THR  21   4.412  -4.997  -4.479
    4    HG1  THR  21           HG1      THR  21   2.503  -5.115  -5.717
    5   HG21  THR  21          HG21      THR  21   3.732  -7.001  -2.557
    6   HG23  THR  21          HG22      THR  21   5.187  -6.837  -3.541
    7   HG22  THR  21          HG23      THR  21   3.789  -7.706  -4.173

  No H/Q in entry =           7
  In of MODEL    1
    1    H    CYS  22           H        CYS  22   4.510  -3.539  -1.781
    2    HA   CYS  22           HA       CYS  22   4.662  -1.178  -3.407
    3    HB2  CYS  22           HB2      CYS  22   4.069   0.314  -1.386
    4    HB3  CYS  22           HB3      CYS  22   2.749  -0.404  -2.302

  No H/Q in entry =           4
  In of MODEL    1
    1    H    TRP  23           H        TRP  23   6.417  -3.255  -2.343
    2    HA   TRP  23           HA       TRP  23   8.643  -1.691  -1.687
    3    HB2  TRP  23           HB2      TRP  23   7.544  -1.374   0.473
    4    HB3  TRP  23           HB3      TRP  23   7.388  -3.116   0.670
    5    HD1  TRP  23           HD1      TRP  23   9.004  -3.790   2.533
    6    HE1  TRP  23           HE1      TRP  23  11.468  -3.313   3.100
    7    HE3  TRP  23           HE3      TRP  23  10.049  -0.408  -1.158
    8    HZ2  TRP  23           HZ2      TRP  23  13.576  -1.716   2.114
    9    HZ3  TRP  23           HZ3      TRP  23  12.313   0.546  -1.276
   10    HH2  TRP  23           HH2      TRP  23  14.039  -0.095   0.328

  No H/Q in entry =          10
  In of MODEL    1
    1    H    ARG  24           H        ARG  24   8.852  -3.316  -3.538
    2    HA   ARG  24           HA       ARG  24  10.014  -5.804  -2.470
    3    HB2  ARG  24           HB2      ARG  24   9.418  -6.780  -4.758
    4    HB3  ARG  24           HB3      ARG  24   8.098  -6.530  -3.623
    5    HG2  ARG  24           HG2      ARG  24   7.407  -4.543  -4.772
    6    HG3  ARG  24           HG3      ARG  24   8.820  -4.612  -5.826
    7    HD2  ARG  24           HD2      ARG  24   7.962  -6.892  -6.562
    8    HD3  ARG  24           HD3      ARG  24   6.456  -6.466  -5.751
    9    HE   ARG  24           HE       ARG  24   7.162  -4.388  -7.495
   10   HH11  ARG  24          HH11      ARG  24   6.075  -7.702  -7.598
   11   HH12  ARG  24          HH12      ARG  24   5.281  -7.525  -9.127
   12   HH21  ARG  24          HH21      ARG  24   6.118  -4.153  -9.506
   13   HH22  ARG  24          HH22      ARG  24   5.306  -5.511 -10.210

  No H/Q in entry =          13
  In of MODEL    1
    1    H    THR  25           H        THR  25  12.149  -5.645  -2.615
    2    HA   THR  25           HA       THR  25  13.302  -4.563  -5.100
    3    HB   THR  25           HB       THR  25  15.062  -3.513  -3.888
    4    HG1  THR  25           HG1      THR  25  15.698  -4.396  -2.114
    5   HG22  THR  25          HG21      THR  25  12.817  -2.896  -2.035
    6   HG21  THR  25          HG22      THR  25  12.684  -2.471  -3.741
    7   HG23  THR  25          HG23      THR  25  14.004  -1.818  -2.770

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  26           H        SER  26  15.949  -5.144  -4.628
    2    HA   SER  26           HA       SER  26  16.148  -7.814  -5.402
    3    HB2  SER  26           HB2      SER  26  17.862  -5.769  -5.470
    4    HB3  SER  26           HB3      SER  26  18.477  -6.569  -4.023
    5    HG   SER  26           HG       SER  26  18.011  -7.954  -6.446

  No H/Q in entry =           5
  In of MODEL    1
    1    H    VAL  27           H        VAL  27  16.141  -6.360  -2.233
    2    HA   VAL  27           HA       VAL  27  16.248  -9.051  -1.055
    3    HB   VAL  27           HB       VAL  27  17.540  -6.650   0.235
    4   HG11  VAL  27          HG11      VAL  27  17.129  -9.483   0.965
    5   HG13  VAL  27          HG12      VAL  27  17.243  -8.050   1.987
    6   HG12  VAL  27          HG13      VAL  27  18.708  -8.794   1.344
    7   HG21  VAL  27          HG21      VAL  27  18.723  -7.213  -1.840
    8   HG23  VAL  27          HG22      VAL  27  18.884  -8.881  -1.289
    9   HG22  VAL  27          HG23      VAL  27  19.694  -7.581  -0.414

  No H/Q in entry =           9
  In of MODEL    1
    1    H    SER  28           H        SER  28  14.000  -7.324  -1.723
    2    HA   SER  28           HA       SER  28  12.749  -7.290   0.905
    3    HB2  SER  28           HB2      SER  28  13.744  -4.932  -0.007
    4    HB3  SER  28           HB3      SER  28  12.122  -4.887  -0.697
    5    HG   SER  28           HG       SER  28  11.257  -5.022   1.326

  No H/Q in entry =           5
  In of MODEL    1
    1    H    SER  29           H        SER  29  10.435  -7.275   0.823
    2    HA   SER  29           HA       SER  29   8.928  -7.198  -1.543
    3    HB2  SER  29           HB2      SER  29   8.445  -9.564  -1.896
    4    HB3  SER  29           HB3      SER  29  10.177  -9.275  -2.062
    5    HG   SER  29           HG       SER  29   9.498 -11.138  -0.740

  No H/Q in entry =           5
  In of MODEL    1
    1    H    HIS  30           H        HIS  30   7.589  -6.013  -0.165
    2    HA   HIS  30           HA       HIS  30   6.152  -7.607   1.856
    3    HB2  HIS  30           HB2      HIS  30   6.759  -4.649   1.787
    4    HB3  HIS  30           HB3      HIS  30   5.602  -5.371   2.901
    5    HD1  HIS  30           HD1      HIS  30   7.593  -4.111   4.473
    6    HD2  HIS  30           HD2      HIS  30   8.404  -7.807   2.757
    7    HE1  HIS  30           HE1      HIS  30   9.498  -5.068   5.807
    8    HE2  HIS  30           HE2      HIS  30   9.913  -7.342   4.805

  No H/Q in entry =           8
  In of MODEL    1
    1    H    TYR  31           H        TYR  31   3.933  -6.306   2.317
    2    HA   TYR  31           HA       TYR  31   2.682  -5.557  -0.214
    3    HB2  TYR  31           HB2      TYR  31   1.564  -7.723   1.578
    4    HB3  TYR  31           HB3      TYR  31   0.819  -7.104   0.108
    5    HD1  TYR  31           HD1      TYR  31   1.312  -8.070  -1.965
    6    HD2  TYR  31           HD2      TYR  31   3.844  -8.870   1.359
    7    HE1  TYR  31           HE1      TYR  31   2.503  -9.766  -3.288
    8    HE2  TYR  31           HE2      TYR  31   5.043 -10.568   0.045
    9    HH   TYR  31           HH       TYR  31   3.938 -11.972  -2.590

  No H/Q in entry =           9
  In of MODEL    1
    1    H    CYS  32           H        CYS  32   0.364  -4.820   0.181
    2    HA   CYS  32           HA       CYS  32   0.403  -2.994   2.433
    3    HB2  CYS  32           HB2      CYS  32  -0.908  -3.119  -0.168
    4    HB3  CYS  32           HB3      CYS  32  -2.013  -2.631   1.113

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR  33           H        THR  33  -1.314  -2.793   3.948
    2    HA   THR  33           HA       THR  33  -2.664  -5.349   4.475
    3    HB   THR  33           HB       THR  33  -1.269  -4.736   6.301
    4    HG1  THR  33           HG1      THR  33  -3.870  -3.868   7.010
    5   HG22  THR  33          HG21      THR  33  -1.488  -2.609   7.507
    6   HG21  THR  33          HG22      THR  33  -2.569  -2.024   6.241
    7   HG23  THR  33          HG23      THR  33  -0.888  -2.401   5.861

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  34           H        GLY  34  -3.492  -2.912   2.741
    2    HA3  GLY  34           HA2      GLY  34  -5.427  -1.782   2.244
    3    HA2  GLY  34           HA3      GLY  34  -6.234  -3.157   2.980

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ARG  35           H        ARG  35  -4.079  -1.187   4.863
    2    HA   ARG  35           HA       ARG  35  -6.410  -0.111   6.305
    3    HB2  ARG  35           HB2      ARG  35  -4.519  -1.715   7.345
    4    HB3  ARG  35           HB3      ARG  35  -3.754  -0.156   7.622
    5    HG2  ARG  35           HG2      ARG  35  -5.906   0.563   8.728
    6    HG3  ARG  35           HG3      ARG  35  -6.399  -1.130   8.660
    7    HD2  ARG  35           HD2      ARG  35  -4.355  -1.731   9.918
    8    HD3  ARG  35           HD3      ARG  35  -3.966  -0.017  10.052
    9    HE   ARG  35           HE       ARG  35  -6.551  -0.412  11.043
   10   HH11  ARG  35          HH11      ARG  35  -3.257  -1.239  11.846
   11   HH12  ARG  35          HH12      ARG  35  -3.558  -1.310  13.549
   12   HH21  ARG  35          HH21      ARG  35  -6.948  -0.504  13.283
   13   HH22  ARG  35          HH22      ARG  35  -5.654  -0.893  14.366

  No H/Q in entry =          13
  In of MODEL    1
    1    H    SER  36           H        SER  36  -3.275   0.639   4.925
    2    HA   SER  36           HA       SER  36  -3.996   3.463   4.908
    3    HB2  SER  36           HB2      SER  36  -1.355   2.479   6.016
    4    HB3  SER  36           HB3      SER  36  -1.817   4.166   5.789
    5    HG   SER  36           HG       SER  36  -2.865   2.278   7.610

  No H/Q in entry =           5
  In of MODEL    1
    1    H    CYS  37           H        CYS  37  -2.691   4.734   3.430
    2    HA   CYS  37           HA       CYS  37  -2.163   3.332   1.008
    3    HB2  CYS  37           HB2      CYS  37  -2.108   6.159   1.914
    4    HB3  CYS  37           HB3      CYS  37  -1.137   5.761   0.500

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLU  38           H        GLU  38  -0.218   4.399   3.677
    2    HA   GLU  38           HA       GLU  38   2.290   4.222   2.287
    3    HB2  GLU  38           HB2      GLU  38   1.858   4.199   5.273
    4    HB3  GLU  38           HB3      GLU  38   3.311   4.671   4.404
    5    HG2  GLU  38           HG2      GLU  38   2.434   6.701   3.765
    6    HG3  GLU  38           HG3      GLU  38   0.767   6.155   3.940

  No H/Q in entry =           6
  In of MODEL    1
    1    H    CYS  39           H        CYS  39   3.718   2.558   2.222
    2    HA   CYS  39           HA       CYS  39   2.728  -0.073   2.695
    3    HB2  CYS  39           HB2      CYS  39   4.570   0.930   1.003
    4    HB3  CYS  39           HB3      CYS  39   5.636   0.321   2.264

  No H/Q in entry =           4
  In of MODEL    1
    1    HA   PRO  40           HA       PRO  40   4.043  -0.487   6.920
    2    HB2  PRO  40           HB2      PRO  40   3.921  -3.188   7.131
    3    HB3  PRO  40           HB3      PRO  40   2.480  -2.164   7.098
    4    HG2  PRO  40           HG2      PRO  40   3.736  -3.740   4.883
    5    HG3  PRO  40           HG3      PRO  40   2.022  -3.576   5.307
    6    HD2  PRO  40           HD2      PRO  40   3.166  -2.178   3.290
    7    HD3  PRO  40           HD3      PRO  40   1.830  -1.530   4.263

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  41           H        SER  41   5.771  -1.393   8.198
    2    HA   SER  41           HA       SER  41   8.174  -1.872   6.593
    3    HB2  SER  41           HB2      SER  41   8.276  -0.025   8.208
    4    HB3  SER  41           HB3      SER  41   7.892  -1.140   9.518
    5    HG   SER  41           HG       SER  41  10.260  -0.536   8.676

  No H/Q in entry =           5
  In of MODEL    1
    1    H    TYR  42           H        TYR  42   6.290  -3.989   6.910
    2    HA   TYR  42           HA       TYR  42   8.056  -5.972   8.094
    3    HB2  TYR  42           HB2      TYR  42   6.039  -7.032   9.257
    4    HB3  TYR  42           HB3      TYR  42   6.724  -5.593  10.005
    5    HD1  TYR  42           HD1      TYR  42   4.010  -6.668   7.687
    6    HD2  TYR  42           HD2      TYR  42   5.343  -3.793  10.525
    7    HE1  TYR  42           HE1      TYR  42   1.799  -5.595   7.629
    8    HE2  TYR  42           HE2      TYR  42   3.134  -2.712  10.476
    9    HH   TYR  42           HH       TYR  42   0.592  -3.748   9.792

  No H/Q in entry =           9
  In of MODEL    1
    1    HA   PRO  43           HA       PRO  43   6.731  -8.313   4.599
    2    HB2  PRO  43           HB2      PRO  43   7.130 -10.846   5.488
    3    HB3  PRO  43           HB3      PRO  43   8.457  -9.761   5.057
    4    HG2  PRO  43           HG2      PRO  43   7.353 -10.424   7.760
    5    HG3  PRO  43           HG3      PRO  43   9.044 -10.275   7.248
    6    HD2  PRO  43           HD2      PRO  43   7.745  -8.303   8.571
    7    HD3  PRO  43           HD3      PRO  43   9.011  -7.973   7.372

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  44           H        GLY  44   5.157  -9.927   3.876
    2    HA3  GLY  44           HA2      GLY  44   2.666  -9.632   5.282
    3    HA2  GLY  44           HA3      GLY  44   2.914 -10.484   3.765

  No H/Q in entry =           3
  In of MODEL    2
    1    H1   ALA   1           H1       ALA   1 -11.196  12.761   8.173
    2    H2   ALA   1           H3       ALA   1 -11.746  14.368   8.399
    3    H3   ALA   1           H2       ALA   1 -12.668  13.271   7.454
    4    HA   ALA   1           HA       ALA   1 -11.575  14.704   6.002
    5    HB2  ALA   1           HB1      ALA   1  -9.303  15.246   6.092
    6    HB1  ALA   1           HB2      ALA   1  -8.931  13.901   7.171
    7    HB3  ALA   1           HB3      ALA   1  -9.827  15.295   7.775

  No H/Q in entry =           7
  In of MODEL    2
    1    H    MET   2           H        MET   2 -11.082  13.918   4.003
    2    HA   MET   2           HA       MET   2  -9.749  11.391   3.652
    3    HB2  MET   2           HB2      MET   2 -12.230  10.919   4.224
    4    HB3  MET   2           HB3      MET   2 -12.564  11.526   2.608
    5    HG2  MET   2           HG2      MET   2 -12.426   9.250   2.281
    6    HG3  MET   2           HG3      MET   2 -10.811   9.802   1.840
    7    HE2  MET   2           HE1      MET   2 -10.812   6.623   2.491
    8    HE1  MET   2           HE2      MET   2 -12.444   7.118   2.941
    9    HE3  MET   2           HE3      MET   2 -11.424   6.278   4.109

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP   3           H        ASP   3  -8.329  12.348   2.267
    2    HA   ASP   3           HA       ASP   3  -9.334  13.909   0.023
    3    HB2  ASP   3           HB2      ASP   3  -6.968  14.376  -0.443
    4    HB3  ASP   3           HB3      ASP   3  -7.368  14.739   1.233

  No H/Q in entry =           4
  In of MODEL    2
    1    H    CYS   4           H        CYS   4 -10.292  11.457  -0.289
    2    HA   CYS   4           HA       CYS   4 -10.499   9.783  -1.816
    3    HB2  CYS   4           HB2      CYS   4  -8.686  11.685  -3.126
    4    HB3  CYS   4           HB3      CYS   4  -8.545  10.035  -3.716

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR   5           H        THR   5  -8.183   9.962   0.347
    2    HA   THR   5           HA       THR   5  -6.620   8.549   1.203
    3    HB   THR   5           HB       THR   5  -7.454   6.296  -0.539
    4    HG1  THR   5           HG1      THR   5  -9.206   7.535   1.313
    5   HG22  THR   5          HG21      THR   5  -7.709   6.216   2.398
    6   HG21  THR   5          HG22      THR   5  -6.079   6.350   1.738
    7   HG23  THR   5          HG23      THR   5  -7.112   4.998   1.271

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR   6           H        THR   6  -4.828   9.582   0.296
    2    HA   THR   6           HA       THR   6  -3.767   8.374  -2.170
    3    HB   THR   6           HB       THR   6  -2.220  10.490  -2.004
    4    HG1  THR   6           HG1      THR   6  -3.309  12.229  -1.025
    5   HG21  THR   6          HG21      THR   6  -4.693  10.012  -3.302
    6   HG23  THR   6          HG22      THR   6  -3.372  11.072  -3.791
    7   HG22  THR   6          HG23      THR   6  -4.662  11.689  -2.759

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY   7           H        GLY   7  -1.601   7.721  -2.261
    2    HA3  GLY   7           HA2      GLY   7   0.470   7.971  -0.587
    3    HA2  GLY   7           HA3      GLY   7  -0.545   6.846   0.302

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO   8           HA       PRO   8   2.014   4.351  -2.634
    2    HB2  PRO   8           HB2      PRO   8   3.406   2.899  -0.881
    3    HB3  PRO   8           HB3      PRO   8   3.869   4.563  -1.258
    4    HG2  PRO   8           HG2      PRO   8   2.406   3.495   1.118
    5    HG3  PRO   8           HG3      PRO   8   3.653   4.751   1.041
    6    HD2  PRO   8           HD2      PRO   8   0.920   5.218   1.185
    7    HD3  PRO   8           HD3      PRO   8   2.126   6.386   0.611

  No H/Q in entry =           7
  In of MODEL    2
    1    H    CYS   9           H        CYS   9  -0.711   3.898  -1.931
    2    HA   CYS   9           HA       CYS   9  -0.944   1.151  -2.424
    3    HB2  CYS   9           HB2      CYS   9  -0.229   1.080  -0.002
    4    HB3  CYS   9           HB3      CYS   9  -1.744   1.880   0.396

  No H/Q in entry =           4
  In of MODEL    2
    1    H    CYS  10           H        CYS  10  -1.996   3.607  -3.390
    2    HA   CYS  10           HA       CYS  10  -4.869   3.103  -2.997
    3    HB2  CYS  10           HB2      CYS  10  -3.957   5.878  -3.621
    4    HB3  CYS  10           HB3      CYS  10  -5.393   5.339  -2.759

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ARG  11           H        ARG  11  -6.193   3.476  -4.834
    2    HA   ARG  11           HA       ARG  11  -4.747   3.166  -7.339
    3    HB2  ARG  11           HB2      ARG  11  -7.449   2.500  -6.359
    4    HB3  ARG  11           HB3      ARG  11  -7.363   2.993  -8.045
    5    HG2  ARG  11           HG2      ARG  11  -6.310   1.112  -8.682
    6    HG3  ARG  11           HG3      ARG  11  -5.352   1.019  -7.203
    7    HD2  ARG  11           HD2      ARG  11  -6.780  -0.836  -7.103
    8    HD3  ARG  11           HD3      ARG  11  -7.522   0.358  -6.039
    9    HE   ARG  11           HE       ARG  11  -8.512   0.418  -8.742
   10   HH11  ARG  11          HH11      ARG  11  -8.875  -1.022  -5.583
   11   HH12  ARG  11          HH12      ARG  11 -10.532  -1.457  -5.835
   12   HH21  ARG  11          HH21      ARG  11 -10.690  -0.154  -9.074
   13   HH22  ARG  11          HH22      ARG  11 -11.563  -0.965  -7.816

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  12           H        GLN  12  -7.901   4.693  -7.165
    2    HA   GLN  12           HA       GLN  12  -6.699   7.154  -8.253
    3    HB2  GLN  12           HB2      GLN  12  -8.245   5.551  -9.707
    4    HB3  GLN  12           HB3      GLN  12  -9.522   6.442  -8.890
    5    HG2  GLN  12           HG2      GLN  12  -8.213   8.537  -9.667
    6    HG3  GLN  12           HG3      GLN  12  -7.460   7.427 -10.811
    7   HE21  GLN  12          HE21      GLN  12  -8.511   8.944 -12.334
    8   HE22  GLN  12          HE22      GLN  12 -10.140   8.616 -12.808

  No H/Q in entry =           8
  In of MODEL    2
    1    H    CYS  13           H        CYS  13  -8.830   5.747  -5.935
    2    HA   CYS  13           HA       CYS  13  -8.946   8.042  -4.338
    3    HB2  CYS  13           HB2      CYS  13 -10.447   8.825  -6.180
    4    HB3  CYS  13           HB3      CYS  13 -11.535   7.494  -5.803

  No H/Q in entry =           4
  In of MODEL    2
    1    H    LYS  14           H        LYS  14  -8.472   5.245  -4.070
    2    HA   LYS  14           HA       LYS  14 -10.043   4.724  -1.753
    3    HB2  LYS  14           HB2      LYS  14 -11.369   3.986  -3.973
    4    HB3  LYS  14           HB3      LYS  14 -10.411   2.534  -3.719
    5    HG2  LYS  14           HG2      LYS  14 -11.317   2.303  -1.476
    6    HG3  LYS  14           HG3      LYS  14 -12.246   3.789  -1.687
    7    HD2  LYS  14           HD2      LYS  14 -12.544   1.282  -3.341
    8    HD3  LYS  14           HD3      LYS  14 -13.624   1.786  -2.039
    9    HE2  LYS  14           HE2      LYS  14 -14.081   3.874  -3.310
   10    HE3  LYS  14           HE3      LYS  14 -13.117   3.229  -4.637
   11    HZ2  LYS  14           HZ1      LYS  14 -15.714   2.920  -4.533
   12    HZ1  LYS  14           HZ2      LYS  14 -15.292   1.569  -3.607
   13    HZ3  LYS  14           HZ3      LYS  14 -14.708   1.726  -5.186

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  15           H        LEU  15  -9.205   3.051  -0.492
    2    HA   LEU  15           HA       LEU  15  -6.473   2.554  -0.712
    3    HB2  LEU  15           HB2      LEU  15  -8.473   2.078   1.162
    4    HB3  LEU  15           HB3      LEU  15  -7.878   0.479   0.761
    5    HG   LEU  15           HG       LEU  15  -5.805   2.508   1.325
    6   HD13  LEU  15          HD11      LEU  15  -6.252   2.914   3.489
    7   HD12  LEU  15          HD12      LEU  15  -6.952   1.317   3.755
    8   HD11  LEU  15          HD13      LEU  15  -7.917   2.590   3.008
    9   HD23  LEU  15          HD21      LEU  15  -5.749   0.018   2.802
   10   HD22  LEU  15          HD22      LEU  15  -4.578   0.683   1.664
   11   HD21  LEU  15          HD23      LEU  15  -5.950  -0.251   1.070

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  16           H        LYS  16  -5.360   1.262  -2.009
    2    HA   LYS  16           HA       LYS  16  -6.509  -0.435  -3.903
    3    HB2  LYS  16           HB2      LYS  16  -3.914   0.459  -3.238
    4    HB3  LYS  16           HB3      LYS  16  -3.835  -1.297  -3.280
    5    HG2  LYS  16           HG2      LYS  16  -4.123  -1.390  -5.508
    6    HG3  LYS  16           HG3      LYS  16  -5.260  -0.041  -5.525
    7    HD2  LYS  16           HD2      LYS  16  -3.637   1.488  -5.876
    8    HD3  LYS  16           HD3      LYS  16  -2.486   0.657  -4.828
    9    HE2  LYS  16           HE2      LYS  16  -2.826  -1.052  -6.997
   10    HE3  LYS  16           HE3      LYS  16  -2.774   0.562  -7.707
   11    HZ1  LYS  16           HZ1      LYS  16  -0.768   0.000  -5.684
   12    HZ3  LYS  16           HZ2      LYS  16  -0.626   0.833  -7.150
   13    HZ2  LYS  16           HZ3      LYS  16  -0.606  -0.859  -7.133

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   PRO  17           HA       PRO  17  -7.417  -4.184  -1.765
    2    HB2  PRO  17           HB2      PRO  17  -6.815  -6.037  -3.682
    3    HB3  PRO  17           HB3      PRO  17  -8.278  -5.047  -3.704
    4    HG2  PRO  17           HG2      PRO  17  -5.708  -4.664  -5.189
    5    HG3  PRO  17           HG3      PRO  17  -7.374  -4.470  -5.765
    6    HD2  PRO  17           HD2      PRO  17  -5.846  -2.360  -5.078
    7    HD3  PRO  17           HD3      PRO  17  -7.599  -2.382  -4.798

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  18           H        ALA  18  -6.461  -5.813  -0.597
    2    HA   ALA  18           HA       ALA  18  -3.812  -5.587   0.150
    3    HB3  ALA  18           HB1      ALA  18  -5.888  -7.679   0.482
    4    HB1  ALA  18           HB2      ALA  18  -4.992  -6.767   1.697
    5    HB2  ALA  18           HB3      ALA  18  -4.220  -8.112   0.857

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  19           H        GLY  19  -1.975  -6.973  -0.173
    2    HA3  GLY  19           HA2      GLY  19  -0.739  -8.598  -1.366
    3    HA2  GLY  19           HA3      GLY  19  -2.018  -8.652  -2.570

  No H/Q in entry =           3
  In of MODEL    2
    1    H    THR  20           H        THR  20  -1.963  -5.588  -2.516
    2    HA   THR  20           HA       THR  20  -0.218  -5.287  -4.743
    3    HB   THR  20           HB       THR  20  -1.491  -3.079  -3.123
    4    HG1  THR  20           HG1      THR  20  -3.124  -4.473  -3.697
    5   HG23  THR  20          HG21      THR  20  -1.510  -1.816  -5.146
    6   HG22  THR  20          HG22      THR  20  -0.879  -3.184  -6.064
    7   HG21  THR  20          HG23      THR  20   0.135  -2.386  -4.860

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR  21           H        THR  21   1.919  -5.211  -4.576
    2    HA   THR  21           HA       THR  21   3.234  -4.432  -2.146
    3    HB   THR  21           HB       THR  21   5.041  -4.574  -4.380
    4    HG1  THR  21           HG1      THR  21   3.252  -6.761  -4.148
    5   HG22  THR  21          HG21      THR  21   5.616  -6.792  -3.163
    6   HG21  THR  21          HG22      THR  21   4.540  -6.166  -1.914
    7   HG23  THR  21          HG23      THR  21   5.965  -5.245  -2.392

  No H/Q in entry =           7
  In of MODEL    2
    1    H    CYS  22           H        CYS  22   4.222  -2.549  -1.658
    2    HA   CYS  22           HA       CYS  22   3.935  -0.363  -3.603
    3    HB2  CYS  22           HB2      CYS  22   3.993   1.156  -1.699
    4    HB3  CYS  22           HB3      CYS  22   2.750  -0.067  -1.457

  No H/Q in entry =           4
  In of MODEL    2
    1    H    TRP  23           H        TRP  23   6.207  -2.058  -1.557
    2    HA   TRP  23           HA       TRP  23   8.402  -0.767  -2.986
    3    HB2  TRP  23           HB2      TRP  23   7.802   0.244  -0.585
    4    HB3  TRP  23           HB3      TRP  23   8.793  -1.112  -0.056
    5    HD1  TRP  23           HD1      TRP  23   9.058   2.000  -2.344
    6    HE1  TRP  23           HE1      TRP  23  11.518   2.753  -2.381
    7    HE3  TRP  23           HE3      TRP  23  11.106  -1.780   0.423
    8    HZ2  TRP  23           HZ2      TRP  23  13.999   1.863  -1.370
    9    HZ3  TRP  23           HZ3      TRP  23  13.530  -1.755   0.842
   10    HH2  TRP  23           HH2      TRP  23  14.946   0.030  -0.037

  No H/Q in entry =          10
  In of MODEL    2
    1    H    ARG  24           H        ARG  24   9.183  -2.527  -3.986
    2    HA   ARG  24           HA       ARG  24  10.196  -4.692  -2.304
    3    HB2  ARG  24           HB2      ARG  24   9.324  -6.416  -3.787
    4    HB3  ARG  24           HB3      ARG  24   8.007  -5.455  -3.128
    5    HG2  ARG  24           HG2      ARG  24   7.783  -4.250  -5.198
    6    HG3  ARG  24           HG3      ARG  24   9.202  -5.061  -5.863
    7    HD2  ARG  24           HD2      ARG  24   7.696  -7.191  -5.151
    8    HD3  ARG  24           HD3      ARG  24   6.436  -6.023  -5.550
    9    HE   ARG  24           HE       ARG  24   8.120  -5.860  -7.660
   10   HH11  ARG  24          HH11      ARG  24   6.525  -8.531  -6.079
   11   HH12  ARG  24          HH12      ARG  24   6.420  -9.484  -7.521
   12   HH21  ARG  24          HH21      ARG  24   7.982  -7.112  -9.558
   13   HH22  ARG  24          HH22      ARG  24   7.247  -8.679  -9.496

  No H/Q in entry =          13
  In of MODEL    2
    1    H    THR  25           H        THR  25  12.130  -5.488  -2.954
    2    HA   THR  25           HA       THR  25  13.115  -4.780  -5.623
    3    HB   THR  25           HB       THR  25  15.366  -4.286  -4.454
    4    HG1  THR  25           HG1      THR  25  15.293  -3.769  -2.355
    5   HG21  THR  25          HG21      THR  25  13.031  -2.411  -4.314
    6   HG23  THR  25          HG22      THR  25  14.321  -2.471  -5.515
    7   HG22  THR  25          HG23      THR  25  14.671  -1.934  -3.872

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  26           H        SER  26  12.165  -7.272  -4.708
    2    HA   SER  26           HA       SER  26  12.707  -9.480  -4.726
    3    HB2  SER  26           HB2      SER  26  15.455  -8.762  -5.718
    4    HB3  SER  26           HB3      SER  26  14.471 -10.171  -6.113
    5    HG   SER  26           HG       SER  26  14.674  -8.170  -7.613

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL  27           H        VAL  27  13.149  -8.001  -2.333
    2    HA   VAL  27           HA       VAL  27  14.862  -9.864  -0.963
    3    HB   VAL  27           HB       VAL  27  16.184  -8.013   0.156
    4   HG11  VAL  27          HG11      VAL  27  17.003  -9.612  -1.640
    5   HG13  VAL  27          HG12      VAL  27  17.920  -8.120  -1.431
    6   HG12  VAL  27          HG13      VAL  27  16.791  -8.279  -2.775
    7   HG21  VAL  27          HG21      VAL  27  15.019  -6.482  -2.154
    8   HG23  VAL  27          HG22      VAL  27  16.510  -5.993  -1.349
    9   HG22  VAL  27          HG23      VAL  27  15.000  -6.064  -0.441

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  28           H        SER  28  13.072  -6.823  -0.747
    2    HA   SER  28           HA       SER  28  11.838  -7.808   1.730
    3    HB2  SER  28           HB2      SER  28  13.302  -5.252   1.299
    4    HB3  SER  28           HB3      SER  28  11.842  -5.192   2.287
    5    HG   SER  28           HG       SER  28  14.293  -6.153   2.905

  No H/Q in entry =           5
  In of MODEL    2
    1    H    SER  29           H        SER  29  10.120  -8.406   0.246
    2    HA   SER  29           HA       SER  29   8.717  -6.436  -1.257
    3    HB2  SER  29           HB2      SER  29   7.803  -9.168  -0.325
    4    HB3  SER  29           HB3      SER  29   7.008  -8.184  -1.552
    5    HG   SER  29           HG       SER  29   9.712  -8.992  -1.758

  No H/Q in entry =           5
  In of MODEL    2
    1    H    HIS  30           H        HIS  30   7.043  -5.156  -0.713
    2    HA   HIS  30           HA       HIS  30   5.966  -5.418   2.019
    3    HB2  HIS  30           HB2      HIS  30   6.833  -3.008   0.469
    4    HB3  HIS  30           HB3      HIS  30   5.545  -2.847   1.659
    5    HD1  HIS  30           HD1      HIS  30   7.526  -1.221   2.695
    6    HD2  HIS  30           HD2      HIS  30   8.051  -5.333   2.979
    7    HE1  HIS  30           HE1      HIS  30   9.250  -1.555   4.494
    8    HE2  HIS  30           HE2      HIS  30   9.611  -4.047   4.592

  No H/Q in entry =           8
  In of MODEL    2
    1    H    TYR  31           H        TYR  31   4.299  -6.770   1.097
    2    HA   TYR  31           HA       TYR  31   2.527  -5.827  -0.907
    3    HB2  TYR  31           HB2      TYR  31   2.058  -7.938   1.209
    4    HB3  TYR  31           HB3      TYR  31   1.096  -7.705  -0.247
    5    HD1  TYR  31           HD1      TYR  31   3.596  -9.647   1.160
    6    HD2  TYR  31           HD2      TYR  31   2.618  -7.677  -2.482
    7    HE1  TYR  31           HE1      TYR  31   5.088 -11.174  -0.060
    8    HE2  TYR  31           HE2      TYR  31   4.107  -9.199  -3.712
    9    HH   TYR  31           HH       TYR  31   6.146 -10.620  -3.167

  No H/Q in entry =           9
  In of MODEL    2
    1    H    CYS  32           H        CYS  32   0.231  -5.349  -0.591
    2    HA   CYS  32           HA       CYS  32  -0.122  -3.526   1.654
    3    HB2  CYS  32           HB2      CYS  32  -1.406  -3.881  -1.013
    4    HB3  CYS  32           HB3      CYS  32  -2.360  -3.141   0.269

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR  33           H        THR  33  -1.758  -3.674   3.159
    2    HA   THR  33           HA       THR  33  -2.941  -6.335   3.435
    3    HB   THR  33           HB       THR  33  -3.210  -5.868   5.735
    4    HG1  THR  33           HG1      THR  33  -3.075  -3.804   6.582
    5   HG23  THR  33          HG21      THR  33  -1.057  -6.008   6.186
    6   HG22  THR  33          HG22      THR  33  -0.869  -4.280   5.889
    7   HG21  THR  33          HG23      THR  33  -0.679  -5.428   4.564

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  34           H        GLY  34  -3.864  -3.762   1.820
    2    HA3  GLY  34           HA2      GLY  34  -5.865  -2.789   1.246
    3    HA2  GLY  34           HA3      GLY  34  -6.546  -4.360   1.636

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ARG  35           H        ARG  35  -4.952  -2.483   4.091
    2    HA   ARG  35           HA       ARG  35  -7.579  -1.934   5.304
    3    HB2  ARG  35           HB2      ARG  35  -5.009  -2.904   6.444
    4    HB3  ARG  35           HB3      ARG  35  -5.981  -1.828   7.439
    5    HG2  ARG  35           HG2      ARG  35  -7.883  -3.548   6.686
    6    HG3  ARG  35           HG3      ARG  35  -6.480  -4.615   6.608
    7    HD2  ARG  35           HD2      ARG  35  -6.086  -4.488   8.861
    8    HD3  ARG  35           HD3      ARG  35  -6.813  -2.889   9.007
    9    HE   ARG  35           HE       ARG  35  -8.140  -5.427   9.243
   10   HH11  ARG  35          HH11      ARG  35  -8.556  -2.039   8.521
   11   HH12  ARG  35          HH12      ARG  35 -10.236  -2.028   8.939
   12   HH21  ARG  35          HH21      ARG  35 -10.350  -5.415   9.792
   13   HH22  ARG  35          HH22      ARG  35 -11.255  -3.944   9.661

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  36           H        SER  36  -4.358  -0.683   4.673
    2    HA   SER  36           HA       SER  36  -5.393   2.027   5.058
    3    HB2  SER  36           HB2      SER  36  -4.315   1.749   7.135
    4    HB3  SER  36           HB3      SER  36  -2.978   0.849   6.419
    5    HG   SER  36           HG       SER  36  -3.501   3.617   6.342

  No H/Q in entry =           5
  In of MODEL    2
    1    H    CYS  37           H        CYS  37  -4.411   3.603   3.787
    2    HA   CYS  37           HA       CYS  37  -3.244   2.659   1.362
    3    HB2  CYS  37           HB2      CYS  37  -4.352   5.145   2.367
    4    HB3  CYS  37           HB3      CYS  37  -2.889   5.429   1.430

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU  38           H        GLU  38  -1.979   3.709   4.376
    2    HA   GLU  38           HA       GLU  38   0.649   4.311   3.264
    3    HB2  GLU  38           HB2      GLU  38  -0.641   4.636   5.942
    4    HB3  GLU  38           HB3      GLU  38   1.114   4.572   5.846
    5    HG2  GLU  38           HG2      GLU  38   0.547   6.371   3.897
    6    HG3  GLU  38           HG3      GLU  38  -0.746   6.690   5.052

  No H/Q in entry =           6
  In of MODEL    2
    1    H    CYS  39           H        CYS  39   2.028   2.713   2.909
    2    HA   CYS  39           HA       CYS  39   1.691   0.073   3.773
    3    HB2  CYS  39           HB2      CYS  39   3.822   1.615   2.418
    4    HB3  CYS  39           HB3      CYS  39   4.342   0.141   3.227

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   PRO  40           HA       PRO  40   3.272   0.079   7.894
    2    HB2  PRO  40           HB2      PRO  40   4.172  -2.470   8.095
    3    HB3  PRO  40           HB3      PRO  40   2.453  -2.063   8.074
    4    HG2  PRO  40           HG2      PRO  40   4.193  -3.049   5.846
    5    HG3  PRO  40           HG3      PRO  40   2.545  -3.540   6.279
    6    HD2  PRO  40           HD2      PRO  40   3.070  -1.810   4.261
    7    HD3  PRO  40           HD3      PRO  40   1.594  -1.716   5.242

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  41           H        SER  41   5.294  -0.625   9.156
    2    HA   SER  41           HA       SER  41   7.665   0.037   7.540
    3    HB2  SER  41           HB2      SER  41   7.678   0.332  10.511
    4    HB3  SER  41           HB3      SER  41   8.509   1.287   9.284
    5    HG   SER  41           HG       SER  41   5.746   1.355   9.928

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  42           H        TYR  42   6.567  -2.633   7.879
    2    HA   TYR  42           HA       TYR  42   8.974  -3.913   8.910
    3    HB2  TYR  42           HB2      TYR  42   7.541  -5.624  10.108
    4    HB3  TYR  42           HB3      TYR  42   7.609  -4.032  10.856
    5    HD1  TYR  42           HD1      TYR  42   5.656  -2.581  10.874
    6    HD2  TYR  42           HD2      TYR  42   5.496  -6.437   9.084
    7    HE1  TYR  42           HE1      TYR  42   3.200  -2.460  10.848
    8    HE2  TYR  42           HE2      TYR  42   3.039  -6.327   9.053
    9    HH   TYR  42           HH       TYR  42   1.309  -3.795   9.185

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   PRO  43           HA       PRO  43   8.443  -6.552   5.422
    2    HB2  PRO  43           HB2      PRO  43   9.484  -8.896   6.311
    3    HB3  PRO  43           HB3      PRO  43  10.481  -7.486   5.932
    4    HG2  PRO  43           HG2      PRO  43   9.512  -8.462   8.592
    5    HG3  PRO  43           HG3      PRO  43  11.115  -7.853   8.139
    6    HD2  PRO  43           HD2      PRO  43   9.288  -6.326   9.427
    7    HD3  PRO  43           HD3      PRO  43  10.454  -5.649   8.274

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  44           H        GLY  44   7.674  -8.893   4.859
    2    HA3  GLY  44           HA2      GLY  44   5.121  -9.279   6.273
    3    HA2  GLY  44           HA3      GLY  44   5.445  -9.753   4.612

  No H/Q in entry =           3
  In of MODEL    3
    1    H1   ALA   1           H1       ALA   1 -16.307  10.597   7.842
    2    H2   ALA   1           H3       ALA   1 -16.932  12.189   7.729
    3    H3   ALA   1           H2       ALA   1 -16.883  11.187   6.337
    4    HA   ALA   1           HA       ALA   1 -15.158  12.742   6.193
    5    HB3  ALA   1           HB1      ALA   1 -13.584  13.157   7.876
    6    HB2  ALA   1           HB2      ALA   1 -14.026  11.703   8.771
    7    HB1  ALA   1           HB3      ALA   1 -15.128  13.079   8.725

  No H/Q in entry =           7
  In of MODEL    3
    1    H    MET   2           H        MET   2 -14.339  11.675   4.500
    2    HA   MET   2           HA       MET   2 -12.589   9.384   5.054
    3    HB2  MET   2           HB2      MET   2 -14.892   9.519   3.163
    4    HB3  MET   2           HB3      MET   2 -13.471   8.607   2.675
    5    HG2  MET   2           HG2      MET   2 -13.820   6.973   4.198
    6    HG3  MET   2           HG3      MET   2 -14.531   8.071   5.379
    7    HE1  MET   2           HE1      MET   2 -16.159   6.920   6.210
    8    HE3  MET   2           HE2      MET   2 -17.534   6.127   5.442
    9    HE2  MET   2           HE3      MET   2 -17.544   7.874   5.681

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP   3           H        ASP   3 -10.645   9.536   4.128
    2    HA   ASP   3           HA       ASP   3 -10.210  11.717   2.213
    3    HB2  ASP   3           HB2      ASP   3  -8.886  11.266   4.498
    4    HB3  ASP   3           HB3      ASP   3  -7.913  10.266   3.423

  No H/Q in entry =           4
  In of MODEL    3
    1    H    CYS   4           H        CYS   4  -8.166  11.175   0.765
    2    HA   CYS   4           HA       CYS   4  -8.825   8.664  -0.611
    3    HB2  CYS   4           HB2      CYS   4  -7.859  11.332  -1.529
    4    HB3  CYS   4           HB3      CYS   4  -7.372   9.914  -2.452

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR   5           H        THR   5  -6.199  10.528   0.771
    2    HA   THR   5           HA       THR   5  -4.059   9.991   1.326
    3    HB   THR   5           HB       THR   5  -4.556   7.079   0.936
    4    HG1  THR   5           HG1      THR   5  -5.920   8.720   2.786
    5   HG21  THR   5          HG21      THR   5  -2.484   7.825   1.989
    6   HG23  THR   5          HG22      THR   5  -3.482   6.882   3.095
    7   HG22  THR   5          HG23      THR   5  -3.419   8.638   3.244

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR   6           H        THR   6  -3.480  10.937  -0.762
    2    HA   THR   6           HA       THR   6  -3.112   9.412  -3.095
    3    HB   THR   6           HB       THR   6  -1.285  11.341  -3.446
    4    HG1  THR   6           HG1      THR   6  -1.380  12.129  -1.348
    5   HG23  THR   6          HG21      THR   6  -2.800  12.233  -4.791
    6   HG22  THR   6          HG22      THR   6  -3.879  12.612  -3.448
    7   HG21  THR   6          HG23      THR   6  -3.922  11.012  -4.189

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY   7           H        GLY   7  -1.771   7.773  -3.418
    2    HA3  GLY   7           HA2      GLY   7   1.001   7.901  -2.922
    3    HA2  GLY   7           HA3      GLY   7   0.237   6.968  -1.644

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO   8           HA       PRO   8   1.187   4.240  -5.370
    2    HB2  PRO   8           HB2      PRO   8   2.782   2.468  -4.067
    3    HB3  PRO   8           HB3      PRO   8   3.402   3.930  -4.842
    4    HG2  PRO   8           HG2      PRO   8   2.779   3.433  -1.956
    5    HG3  PRO   8           HG3      PRO   8   4.175   4.259  -2.673
    6    HD2  PRO   8           HD2      PRO   8   2.082   5.603  -1.609
    7    HD3  PRO   8           HD3      PRO   8   3.010   6.224  -2.989

  No H/Q in entry =           7
  In of MODEL    3
    1    H    CYS   9           H        CYS   9   0.510   3.490  -1.982
    2    HA   CYS   9           HA       CYS   9  -0.577   0.918  -2.421
    3    HB2  CYS   9           HB2      CYS   9   0.214   1.826  -0.216
    4    HB3  CYS   9           HB3      CYS   9  -1.247   2.806  -0.162

  No H/Q in entry =           4
  In of MODEL    3
    1    H    CYS  10           H        CYS  10  -1.796   4.018  -3.111
    2    HA   CYS  10           HA       CYS  10  -4.550   2.987  -3.236
    3    HB2  CYS  10           HB2      CYS  10  -3.570   5.849  -3.157
    4    HB3  CYS  10           HB3      CYS  10  -5.256   5.357  -3.275

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ARG  11           H        ARG  11  -5.748   3.221  -5.126
    2    HA   ARG  11           HA       ARG  11  -4.244   3.141  -7.541
    3    HB2  ARG  11           HB2      ARG  11  -7.032   2.717  -6.734
    4    HB3  ARG  11           HB3      ARG  11  -6.856   3.391  -8.348
    5    HG2  ARG  11           HG2      ARG  11  -5.064   1.457  -8.564
    6    HG3  ARG  11           HG3      ARG  11  -6.062   0.734  -7.301
    7    HD2  ARG  11           HD2      ARG  11  -8.007   1.481  -8.943
    8    HD3  ARG  11           HD3      ARG  11  -6.715   1.341 -10.134
    9    HE   ARG  11           HE       ARG  11  -6.723  -0.968  -8.549
   10   HH11  ARG  11          HH11      ARG  11  -8.705   0.618 -10.944
   11   HH12  ARG  11          HH12      ARG  11  -9.395  -0.858 -11.532
   12   HH21  ARG  11          HH21      ARG  11  -7.630  -2.910  -9.320
   13   HH22  ARG  11          HH22      ARG  11  -8.785  -2.861 -10.609

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  12           H        GLN  12  -7.173   5.087  -7.349
    2    HA   GLN  12           HA       GLN  12  -5.618   7.382  -8.348
    3    HB2  GLN  12           HB2      GLN  12  -7.260   6.224  -9.941
    4    HB3  GLN  12           HB3      GLN  12  -8.532   6.908  -8.938
    5    HG2  GLN  12           HG2      GLN  12  -7.035   9.106  -9.410
    6    HG3  GLN  12           HG3      GLN  12  -6.766   8.196 -10.896
    7   HE21  GLN  12          HE21      GLN  12  -8.040  10.586 -11.004
    8   HE22  GLN  12          HE22      GLN  12  -9.712  10.357 -11.373

  No H/Q in entry =           8
  In of MODEL    3
    1    H    CYS  13           H        CYS  13  -7.896   6.238  -6.021
    2    HA   CYS  13           HA       CYS  13  -7.599   8.426  -4.318
    3    HB2  CYS  13           HB2      CYS  13  -9.279   9.088  -6.417
    4    HB3  CYS  13           HB3      CYS  13 -10.397   8.642  -5.132

  No H/Q in entry =           4
  In of MODEL    3
    1    H    LYS  14           H        LYS  14  -7.669   5.586  -4.183
    2    HA   LYS  14           HA       LYS  14  -9.372   5.272  -1.910
    3    HB2  LYS  14           HB2      LYS  14 -10.800   4.871  -4.079
    4    HB3  LYS  14           HB3      LYS  14  -9.979   3.316  -4.093
    5    HG2  LYS  14           HG2      LYS  14 -11.205   4.147  -1.536
    6    HG3  LYS  14           HG3      LYS  14 -12.302   3.728  -2.853
    7    HD2  LYS  14           HD2      LYS  14 -10.670   1.654  -3.064
    8    HD3  LYS  14           HD3      LYS  14 -10.374   2.023  -1.364
    9    HE2  LYS  14           HE2      LYS  14 -12.138   0.415  -1.472
   10    HE3  LYS  14           HE3      LYS  14 -12.839   1.962  -0.996
   11    HZ3  LYS  14           HZ1      LYS  14 -13.771   2.263  -3.101
   12    HZ2  LYS  14           HZ2      LYS  14 -14.050   0.630  -2.762
   13    HZ1  LYS  14           HZ3      LYS  14 -12.804   1.073  -3.817

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  15           H        LEU  15  -8.789   3.528  -0.638
    2    HA   LEU  15           HA       LEU  15  -6.177   2.575  -0.861
    3    HB2  LEU  15           HB2      LEU  15  -8.419   2.230   0.923
    4    HB3  LEU  15           HB3      LEU  15  -7.584   0.705   0.692
    5    HG   LEU  15           HG       LEU  15  -5.961   3.124   1.330
    6   HD12  LEU  15          HD11      LEU  15  -7.403   1.516   3.429
    7   HD11  LEU  15          HD12      LEU  15  -7.889   3.129   2.906
    8   HD13  LEU  15          HD13      LEU  15  -6.324   2.888   3.682
    9   HD22  LEU  15          HD21      LEU  15  -4.496   1.424   1.135
   10   HD21  LEU  15          HD22      LEU  15  -5.721   0.192   1.438
   11   HD23  LEU  15          HD23      LEU  15  -4.998   1.068   2.787

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  16           H        LYS  16  -5.348   1.184  -2.263
    2    HA   LYS  16           HA       LYS  16  -6.819  -0.367  -4.052
    3    HB2  LYS  16           HB2      LYS  16  -3.965  -0.659  -3.105
    4    HB3  LYS  16           HB3      LYS  16  -4.647  -1.578  -4.439
    5    HG2  LYS  16           HG2      LYS  16  -4.819   0.284  -5.807
    6    HG3  LYS  16           HG3      LYS  16  -4.751   1.410  -4.449
    7    HD2  LYS  16           HD2      LYS  16  -2.612   1.667  -5.134
    8    HD3  LYS  16           HD3      LYS  16  -2.359   0.206  -4.178
    9    HE2  LYS  16           HE2      LYS  16  -1.320  -0.260  -6.217
   10    HE3  LYS  16           HE3      LYS  16  -2.881  -1.071  -6.333
   11    HZ3  LYS  16           HZ1      LYS  16  -2.952  -0.001  -8.294
   12    HZ2  LYS  16           HZ2      LYS  16  -1.857   1.199  -7.823
   13    HZ1  LYS  16           HZ3      LYS  16  -3.480   1.308  -7.360

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   PRO  17           HA       PRO  17  -8.181  -4.052  -2.077
    2    HB2  PRO  17           HB2      PRO  17  -6.581  -5.582  -4.075
    3    HB3  PRO  17           HB3      PRO  17  -8.288  -5.734  -3.647
    4    HG2  PRO  17           HG2      PRO  17  -7.563  -4.542  -5.912
    5    HG3  PRO  17           HG3      PRO  17  -8.913  -3.917  -4.947
    6    HD2  PRO  17           HD2      PRO  17  -6.133  -2.870  -5.222
    7    HD3  PRO  17           HD3      PRO  17  -7.659  -1.986  -5.024

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  18           H        ALA  18  -7.524  -5.447  -0.499
    2    HA   ALA  18           HA       ALA  18  -5.018  -5.141   0.683
    3    HB3  ALA  18           HB1      ALA  18  -7.212  -7.148   1.009
    4    HB1  ALA  18           HB2      ALA  18  -6.668  -5.894   2.123
    5    HB2  ALA  18           HB3      ALA  18  -5.690  -7.341   1.878

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  19           H        GLY  19  -3.129  -5.694  -0.184
    2    HA3  GLY  19           HA2      GLY  19  -1.815  -7.868  -0.456
    3    HA2  GLY  19           HA3      GLY  19  -2.974  -8.198  -1.734

  No H/Q in entry =           3
  In of MODEL    3
    1    H    THR  20           H        THR  20  -2.680  -5.014  -2.004
    2    HA   THR  20           HA       THR  20  -0.998  -5.158  -4.290
    3    HB   THR  20           HB       THR  20  -1.968  -2.700  -2.818
    4    HG1  THR  20           HG1      THR  20  -3.832  -3.424  -3.453
    5   HG22  THR  20          HG21      THR  20  -1.742  -2.592  -5.717
    6   HG21  THR  20          HG22      THR  20  -0.196  -2.783  -4.892
    7   HG23  THR  20          HG23      THR  20  -1.248  -1.426  -4.491

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR  21           H        THR  21   1.129  -5.415  -4.162
    2    HA   THR  21           HA       THR  21   2.643  -4.617  -1.865
    3    HB   THR  21           HB       THR  21   4.363  -5.184  -4.068
    4    HG1  THR  21           HG1      THR  21   2.262  -7.064  -3.793
    5   HG23  THR  21          HG21      THR  21   5.169  -5.967  -2.087
    6   HG22  THR  21          HG22      THR  21   4.490  -7.448  -2.763
    7   HG21  THR  21          HG23      THR  21   3.593  -6.543  -1.544

  No H/Q in entry =           7
  In of MODEL    3
    1    H    CYS  22           H        CYS  22   4.149  -2.979  -1.678
    2    HA   CYS  22           HA       CYS  22   3.834  -0.795  -3.607
    3    HB2  CYS  22           HB2      CYS  22   4.569  -0.928  -0.709
    4    HB3  CYS  22           HB3      CYS  22   5.110   0.447  -1.667

  No H/Q in entry =           4
  In of MODEL    3
    1    H    TRP  23           H        TRP  23   6.526  -1.682  -1.459
    2    HA   TRP  23           HA       TRP  23   8.342  -1.343  -3.751
    3    HB2  TRP  23           HB2      TRP  23   8.643   0.226  -1.830
    4    HB3  TRP  23           HB3      TRP  23   9.011  -1.159  -0.806
    5    HD1  TRP  23           HD1      TRP  23  10.369  -0.525  -4.375
    6    HE1  TRP  23           HE1      TRP  23  12.938  -0.437  -4.244
    7    HE3  TRP  23           HE3      TRP  23  10.939  -0.896   0.693
    8    HZ2  TRP  23           HZ2      TRP  23  14.941  -0.515  -2.257
    9    HZ3  TRP  23           HZ3      TRP  23  13.215  -0.882   1.628
   10    HH2  TRP  23           HH2      TRP  23  15.173  -0.696   0.182

  No H/Q in entry =          10
  In of MODEL    3
    1    H    ARG  24           H        ARG  24   7.901  -3.550  -4.399
    2    HA   ARG  24           HA       ARG  24   8.612  -5.724  -2.672
    3    HB2  ARG  24           HB2      ARG  24   8.282  -7.126  -4.665
    4    HB3  ARG  24           HB3      ARG  24   6.933  -6.027  -4.412
    5    HG2  ARG  24           HG2      ARG  24   8.417  -4.531  -6.067
    6    HG3  ARG  24           HG3      ARG  24   8.905  -6.141  -6.600
    7    HD2  ARG  24           HD2      ARG  24   6.237  -6.479  -6.441
    8    HD3  ARG  24           HD3      ARG  24   6.307  -4.763  -6.840
    9    HE   ARG  24           HE       ARG  24   7.967  -6.382  -8.527
   10   HH11  ARG  24          HH11      ARG  24   4.724  -5.192  -8.030
   11   HH12  ARG  24          HH12      ARG  24   4.279  -5.343  -9.697
   12   HH21  ARG  24          HH21      ARG  24   7.384  -6.581 -10.719
   13   HH22  ARG  24          HH22      ARG  24   5.789  -6.132 -11.224

  No H/Q in entry =          13
  In of MODEL    3
    1    H    THR  25           H        THR  25  10.561  -6.562  -2.326
    2    HA   THR  25           HA       THR  25  12.639  -6.355  -4.350
    3    HB   THR  25           HB       THR  25  13.528  -5.586  -1.627
    4    HG1  THR  25           HG1      THR  25  12.721  -3.598  -1.697
    5   HG21  THR  25          HG21      THR  25  14.386  -5.172  -4.399
    6   HG23  THR  25          HG22      THR  25  15.335  -5.340  -2.922
    7   HG22  THR  25          HG23      THR  25  14.600  -3.788  -3.327

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  26           H        SER  26  14.777  -7.334  -3.168
    2    HA   SER  26           HA       SER  26  13.971 -10.026  -2.461
    3    HB2  SER  26           HB2      SER  26  16.743  -8.864  -2.829
    4    HB3  SER  26           HB3      SER  26  16.347 -10.577  -2.687
    5    HG   SER  26           HG       SER  26  16.244 -10.431  -4.791

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL  27           H        VAL  27  15.394  -7.223  -0.937
    2    HA   VAL  27           HA       VAL  27  15.940  -8.707   1.516
    3    HB   VAL  27           HB       VAL  27  16.365  -5.762   1.009
    4   HG13  VAL  27          HG11      VAL  27  16.580  -5.922   3.264
    5   HG12  VAL  27          HG12      VAL  27  18.212  -6.419   2.813
    6   HG11  VAL  27          HG13      VAL  27  16.999  -7.635   3.215
    7   HG21  VAL  27          HG21      VAL  27  17.933  -8.121   0.182
    8   HG23  VAL  27          HG22      VAL  27  18.845  -6.796   0.905
    9   HG22  VAL  27          HG23      VAL  27  17.851  -6.507  -0.523

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  28           H        SER  28  13.725  -6.327   0.219
    2    HA   SER  28           HA       SER  28  12.060  -6.645   2.605
    3    HB2  SER  28           HB2      SER  28  13.396  -4.534   2.836
    4    HB3  SER  28           HB3      SER  28  12.616  -3.938   1.371
    5    HG   SER  28           HG       SER  28  11.721  -3.719   3.801

  No H/Q in entry =           5
  In of MODEL    3
    1    H    SER  29           H        SER  29   9.816  -5.972   2.256
    2    HA   SER  29           HA       SER  29   8.835  -5.338  -0.326
    3    HB2  SER  29           HB2      SER  29   8.884  -8.226   0.492
    4    HB3  SER  29           HB3      SER  29   7.573  -7.618  -0.519
    5    HG   SER  29           HG       SER  29   9.049  -8.182  -1.980

  No H/Q in entry =           5
  In of MODEL    3
    1    H    HIS  30           H        HIS  30   7.371  -3.949   0.464
    2    HA   HIS  30           HA       HIS  30   5.800  -4.568   2.804
    3    HB2  HIS  30           HB2      HIS  30   5.428  -2.227   0.935
    4    HB3  HIS  30           HB3      HIS  30   4.935  -2.350   2.621
    5    HD1  HIS  30           HD1      HIS  30   6.518   0.040   2.149
    6    HD2  HIS  30           HD2      HIS  30   8.360  -3.628   2.796
    7    HE1  HIS  30           HE1      HIS  30   8.850   0.585   2.917
    8    HE2  HIS  30           HE2      HIS  30   9.972  -1.651   3.219

  No H/Q in entry =           8
  In of MODEL    3
    1    H    TYR  31           H        TYR  31   3.336  -3.785   2.485
    2    HA   TYR  31           HA       TYR  31   2.128  -4.718   0.047
    3    HB2  TYR  31           HB2      TYR  31   2.255  -6.441   2.463
    4    HB3  TYR  31           HB3      TYR  31   0.712  -6.372   1.618
    5    HD1  TYR  31           HD1      TYR  31   4.124  -7.600   1.536
    6    HD2  TYR  31           HD2      TYR  31   0.564  -7.119  -0.743
    7    HE1  TYR  31           HE1      TYR  31   4.953  -9.243  -0.095
    8    HE2  TYR  31           HE2      TYR  31   1.382  -8.761  -2.380
    9    HH   TYR  31           HH       TYR  31   4.003  -9.563  -3.030

  No H/Q in entry =           9
  In of MODEL    3
    1    H    CYS  32           H        CYS  32  -0.253  -4.536   0.113
    2    HA   CYS  32           HA       CYS  32  -1.037  -2.347   1.900
    3    HB2  CYS  32           HB2      CYS  32  -2.063  -3.264  -0.782
    4    HB3  CYS  32           HB3      CYS  32  -2.955  -2.124   0.219

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR  33           H        THR  33  -2.364  -2.750   3.532
    2    HA   THR  33           HA       THR  33  -3.778  -5.305   3.615
    3    HB   THR  33           HB       THR  33  -3.973  -4.992   5.957
    4    HG1  THR  33           HG1      THR  33  -3.103  -2.317   5.622
    5   HG23  THR  33          HG21      THR  33  -1.831  -5.149   6.567
    6   HG22  THR  33          HG22      THR  33  -1.403  -3.600   5.841
    7   HG21  THR  33          HG23      THR  33  -1.511  -5.045   4.836

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  34           H        GLY  34  -4.600  -2.861   2.009
    2    HA3  GLY  34           HA2      GLY  34  -6.521  -1.701   1.505
    3    HA2  GLY  34           HA3      GLY  34  -7.335  -3.139   2.098

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ARG  35           H        ARG  35  -5.333  -1.241   4.219
    2    HA   ARG  35           HA       ARG  35  -7.764  -0.204   5.521
    3    HB2  ARG  35           HB2      ARG  35  -5.341  -1.524   6.659
    4    HB3  ARG  35           HB3      ARG  35  -6.141  -0.279   7.609
    5    HG2  ARG  35           HG2      ARG  35  -8.288  -1.680   7.072
    6    HG3  ARG  35           HG3      ARG  35  -7.117  -2.973   6.805
    7    HD2  ARG  35           HD2      ARG  35  -6.569  -3.112   8.996
    8    HD3  ARG  35           HD3      ARG  35  -6.755  -1.379   9.261
    9    HE   ARG  35           HE       ARG  35  -9.259  -2.669   8.813
   10   HH11  ARG  35          HH11      ARG  35  -6.816  -2.060  11.229
   11   HH12  ARG  35          HH12      ARG  35  -7.914  -2.217  12.559
   12   HH21  ARG  35          HH21      ARG  35 -10.705  -2.875  10.561
   13   HH22  ARG  35          HH22      ARG  35 -10.122  -2.679  12.180

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  36           H        SER  36  -4.340   0.345   4.879
    2    HA   SER  36           HA       SER  36  -4.842   3.227   4.967
    3    HB2  SER  36           HB2      SER  36  -2.921   1.707   6.668
    4    HB3  SER  36           HB3      SER  36  -2.409   3.278   6.051
    5    HG   SER  36           HG       SER  36  -4.073   4.244   7.118

  No H/Q in entry =           5
  In of MODEL    3
    1    H    CYS  37           H        CYS  37  -3.567   4.447   3.581
    2    HA   CYS  37           HA       CYS  37  -2.509   3.054   1.330
    3    HB2  CYS  37           HB2      CYS  37  -3.581   5.492   1.613
    4    HB3  CYS  37           HB3      CYS  37  -1.880   5.934   1.715

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU  38           H        GLU  38  -1.173   4.176   4.286
    2    HA   GLU  38           HA       GLU  38   1.525   4.468   3.383
    3    HB2  GLU  38           HB2      GLU  38   0.301   5.364   5.554
    4    HB3  GLU  38           HB3      GLU  38   0.886   3.851   6.232
    5    HG2  GLU  38           HG2      GLU  38   2.486   5.512   6.745
    6    HG3  GLU  38           HG3      GLU  38   3.180   4.500   5.478

  No H/Q in entry =           6
  In of MODEL    3
    1    H    CYS  39           H        CYS  39   2.087   2.592   2.288
    2    HA   CYS  39           HA       CYS  39   1.677  -0.027   3.115
    3    HB2  CYS  39           HB2      CYS  39   3.554   1.334   1.268
    4    HB3  CYS  39           HB3      CYS  39   4.008  -0.284   1.790

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   PRO  40           HA       PRO  40   4.129   0.091   6.922
    2    HB2  PRO  40           HB2      PRO  40   3.585  -2.829   6.669
    3    HB3  PRO  40           HB3      PRO  40   3.393  -1.765   8.067
    4    HG2  PRO  40           HG2      PRO  40   1.271  -2.578   6.683
    5    HG3  PRO  40           HG3      PRO  40   1.366  -0.923   7.314
    6    HD2  PRO  40           HD2      PRO  40   1.741  -1.915   4.525
    7    HD3  PRO  40           HD3      PRO  40   1.010  -0.402   5.097

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  41           H        SER  41   6.047  -1.180   7.697
    2    HA   SER  41           HA       SER  41   7.709  -1.999   5.405
    3    HB2  SER  41           HB2      SER  41   8.415   0.117   6.543
    4    HB3  SER  41           HB3      SER  41   8.670  -0.813   8.020
    5    HG   SER  41           HG       SER  41  10.546  -1.314   7.251

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  42           H        TYR  42   6.615  -4.124   5.889
    2    HA   TYR  42           HA       TYR  42   8.118  -5.560   7.979
    3    HB2  TYR  42           HB2      TYR  42   5.285  -6.004   7.024
    4    HB3  TYR  42           HB3      TYR  42   6.159  -7.143   8.043
    5    HD1  TYR  42           HD1      TYR  42   7.503  -5.483   9.984
    6    HD2  TYR  42           HD2      TYR  42   3.623  -5.025   8.299
    7    HE1  TYR  42           HE1      TYR  42   6.786  -4.246  11.985
    8    HE2  TYR  42           HE2      TYR  42   2.896  -3.786  10.295
    9    HH   TYR  42           HH       TYR  42   4.141  -3.869  13.067

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   PRO  43           HA       PRO  43   9.632  -7.218   3.939
    2    HB2  PRO  43           HB2      PRO  43  11.552  -8.345   5.922
    3    HB3  PRO  43           HB3      PRO  43  11.865  -7.596   4.352
    4    HG2  PRO  43           HG2      PRO  43  12.335  -6.262   6.606
    5    HG3  PRO  43           HG3      PRO  43  11.653  -5.442   5.189
    6    HD2  PRO  43           HD2      PRO  43  10.309  -6.312   7.707
    7    HD3  PRO  43           HD3      PRO  43  10.009  -4.880   6.702

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  44           H        GLY  44   8.451  -8.891   3.244
    2    HA3  GLY  44           HA2      GLY  44   8.630 -11.420   4.712
    3    HA2  GLY  44           HA3      GLY  44   7.028 -10.778   4.383

  No H/Q in entry =           3
  In of MODEL    4
    1    H1   ALA   1           H3       ALA   1 -16.320  10.056   5.827
    2    H2   ALA   1           H2       ALA   1 -16.131   8.351   5.781
    3    H3   ALA   1           H1       ALA   1 -15.422   9.262   7.052
    4    HA   ALA   1           HA       ALA   1 -13.849  10.185   5.699
    5    HB1  ALA   1           HB1      ALA   1 -14.268   7.317   4.870
    6    HB2  ALA   1           HB2      ALA   1 -13.344   7.894   6.257
    7    HB3  ALA   1           HB3      ALA   1 -12.783   8.235   4.620

  No H/Q in entry =           7
  In of MODEL    4
    1    H    MET   2           H        MET   2 -13.462  11.329   3.913
    2    HA   MET   2           HA       MET   2 -14.797  10.585   1.413
    3    HB2  MET   2           HB2      MET   2 -15.125  13.121   2.935
    4    HB3  MET   2           HB3      MET   2 -15.025  13.233   1.183
    5    HG2  MET   2           HG2      MET   2 -17.045  12.292   0.868
    6    HG3  MET   2           HG3      MET   2 -16.870  11.197   2.238
    7    HE2  MET   2           HE1      MET   2 -19.103  11.632   4.001
    8    HE1  MET   2           HE2      MET   2 -19.347  11.594   2.255
    9    HE3  MET   2           HE3      MET   2 -20.117  12.849   3.225

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP   3           H        ASP   3 -12.058  10.326   2.346
    2    HA   ASP   3           HA       ASP   3 -10.657  12.275   0.655
    3    HB2  ASP   3           HB2      ASP   3 -10.014  11.746   3.133
    4    HB3  ASP   3           HB3      ASP   3  -9.260  10.313   2.443

  No H/Q in entry =           4
  In of MODEL    4
    1    H    CYS   4           H        CYS   4  -8.777  11.409  -0.596
    2    HA   CYS   4           HA       CYS   4  -9.576   8.911  -1.908
    3    HB2  CYS   4           HB2      CYS   4  -9.063   9.884  -3.865
    4    HB3  CYS   4           HB3      CYS   4  -8.984  11.392  -2.969

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR   5           H        THR   5  -7.026  10.393  -0.087
    2    HA   THR   5           HA       THR   5  -5.135   9.549   0.855
    3    HB   THR   5           HB       THR   5  -5.602   6.767  -0.036
    4    HG1  THR   5           HG1      THR   5  -7.382   6.519   1.320
    5   HG22  THR   5          HG21      THR   5  -5.507   7.641   2.801
    6   HG21  THR   5          HG22      THR   5  -4.032   7.695   1.837
    7   HG23  THR   5          HG23      THR   5  -4.892   6.170   2.047

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR   6           H        THR   6  -3.431  10.276  -0.254
    2    HA   THR   6           HA       THR   6  -2.745   8.976  -2.800
    3    HB   THR   6           HB       THR   6  -1.097  11.088  -2.765
    4    HG1  THR   6           HG1      THR   6  -1.893  12.756  -1.656
    5   HG22  THR   6          HG21      THR   6  -3.935  11.704  -3.419
    6   HG21  THR   6          HG22      THR   6  -3.063  10.487  -4.352
    7   HG23  THR   6          HG23      THR   6  -2.458  12.142  -4.277

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY   7           H        GLY   7  -0.657   8.206  -3.177
    2    HA3  GLY   7           HA2      GLY   7   1.660   8.417  -1.879
    3    HA2  GLY   7           HA3      GLY   7   0.756   7.414  -0.756

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO   8           HA       PRO   8   2.784   4.509  -3.685
    2    HB2  PRO   8           HB2      PRO   8   3.611   2.724  -1.851
    3    HB3  PRO   8           HB3      PRO   8   4.504   4.215  -2.174
    4    HG2  PRO   8           HG2      PRO   8   2.616   3.583   0.058
    5    HG3  PRO   8           HG3      PRO   8   4.161   4.450   0.109
    6    HD2  PRO   8           HD2      PRO   8   1.715   5.687   0.084
    7    HD3  PRO   8           HD3      PRO   8   3.207   6.433  -0.522

  No H/Q in entry =           7
  In of MODEL    4
    1    H    CYS   9           H        CYS   9   0.853   3.558  -0.837
    2    HA   CYS   9           HA       CYS   9  -0.277   1.334  -2.355
    3    HB2  CYS   9           HB2      CYS   9   0.556   1.341   0.162
    4    HB3  CYS   9           HB3      CYS   9  -1.082   1.910   0.460

  No H/Q in entry =           4
  In of MODEL    4
    1    H    CYS  10           H        CYS  10  -1.166   3.458  -3.569
    2    HA   CYS  10           HA       CYS  10  -3.966   3.653  -2.721
    3    HB2  CYS  10           HB2      CYS  10  -2.602   6.075  -3.847
    4    HB3  CYS  10           HB3      CYS  10  -4.077   5.976  -2.893

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ARG  11           H        ARG  11  -5.033   2.679  -4.320
    2    HA   ARG  11           HA       ARG  11  -4.072   2.597  -7.011
    3    HB2  ARG  11           HB2      ARG  11  -5.506   0.842  -5.831
    4    HB3  ARG  11           HB3      ARG  11  -6.868   1.919  -6.110
    5    HG2  ARG  11           HG2      ARG  11  -6.475   1.793  -8.519
    6    HG3  ARG  11           HG3      ARG  11  -5.111   0.709  -8.236
    7    HD2  ARG  11           HD2      ARG  11  -6.771  -0.795  -7.022
    8    HD3  ARG  11           HD3      ARG  11  -8.033   0.206  -7.740
    9    HE   ARG  11           HE       ARG  11  -6.495  -1.810  -9.044
   10   HH11  ARG  11          HH11      ARG  11  -8.122   1.235  -9.555
   11   HH12  ARG  11          HH12      ARG  11  -8.391   0.951 -11.242
   12   HH21  ARG  11          HH21      ARG  11  -6.848  -2.185 -11.262
   13   HH22  ARG  11          HH22      ARG  11  -7.668  -0.991 -12.211

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  12           H        GLN  12  -3.958   4.572  -7.966
    2    HA   GLN  12           HA       GLN  12  -4.701   6.376  -9.144
    3    HB2  GLN  12           HB2      GLN  12  -7.530   5.617  -8.449
    4    HB3  GLN  12           HB3      GLN  12  -6.962   6.534  -9.837
    5    HG2  GLN  12           HG2      GLN  12  -5.674   4.298 -10.359
    6    HG3  GLN  12           HG3      GLN  12  -6.952   3.604  -9.363
    7   HE21  GLN  12          HE21      GLN  12  -6.749   6.120 -11.864
    8   HE22  GLN  12          HE22      GLN  12  -8.055   5.513 -12.820

  No H/Q in entry =           8
  In of MODEL    4
    1    H    CYS  13           H        CYS  13  -7.081   6.000  -6.538
    2    HA   CYS  13           HA       CYS  13  -5.999   8.125  -4.986
    3    HB2  CYS  13           HB2      CYS  13  -7.689   8.927  -7.082
    4    HB3  CYS  13           HB3      CYS  13  -8.673   9.025  -5.626

  No H/Q in entry =           4
  In of MODEL    4
    1    H    LYS  14           H        LYS  14  -6.620   5.491  -4.433
    2    HA   LYS  14           HA       LYS  14  -8.443   5.834  -2.221
    3    HB2  LYS  14           HB2      LYS  14  -9.655   5.022  -4.469
    4    HB3  LYS  14           HB3      LYS  14  -9.085   3.462  -3.892
    5    HG2  LYS  14           HG2      LYS  14 -10.433   3.501  -2.033
    6    HG3  LYS  14           HG3      LYS  14 -10.540   5.262  -2.016
    7    HD2  LYS  14           HD2      LYS  14 -12.664   4.456  -2.706
    8    HD3  LYS  14           HD3      LYS  14 -11.870   5.091  -4.149
    9    HE2  LYS  14           HE2      LYS  14 -11.051   2.517  -4.226
   10    HE3  LYS  14           HE3      LYS  14 -12.626   2.328  -3.456
   11    HZ1  LYS  14           HZ1      LYS  14 -13.368   3.885  -5.396
   12    HZ3  LYS  14           HZ2      LYS  14 -13.194   2.222  -5.650
   13    HZ2  LYS  14           HZ3      LYS  14 -11.978   3.285  -6.151

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  15           H        LEU  15  -8.369   4.047  -0.711
    2    HA   LEU  15           HA       LEU  15  -5.783   3.063  -0.294
    3    HB2  LEU  15           HB2      LEU  15  -8.101   3.208   1.176
    4    HB3  LEU  15           HB3      LEU  15  -7.912   1.481   0.947
    5    HG   LEU  15           HG       LEU  15  -6.910   2.322   3.057
    6   HD11  LEU  15          HD11      LEU  15  -6.109   0.263   1.987
    7   HD13  LEU  15          HD12      LEU  15  -4.824   1.106   2.851
    8   HD12  LEU  15          HD13      LEU  15  -4.915   1.203   1.093
    9   HD21  LEU  15          HD21      LEU  15  -6.052   4.431   1.604
   10   HD23  LEU  15          HD22      LEU  15  -4.586   3.453   1.652
   11   HD22  LEU  15          HD23      LEU  15  -5.362   3.953   3.154

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  16           H        LYS  16  -4.721   1.505  -1.306
    2    HA   LYS  16           HA       LYS  16  -5.833  -0.179  -3.243
    3    HB2  LYS  16           HB2      LYS  16  -3.232  -0.037  -1.805
    4    HB3  LYS  16           HB3      LYS  16  -3.604  -1.527  -2.660
    5    HG2  LYS  16           HG2      LYS  16  -4.071   0.932  -4.194
    6    HG3  LYS  16           HG3      LYS  16  -2.387   0.615  -3.769
    7    HD2  LYS  16           HD2      LYS  16  -2.982  -1.808  -4.616
    8    HD3  LYS  16           HD3      LYS  16  -4.242  -0.947  -5.502
    9    HE2  LYS  16           HE2      LYS  16  -2.386  -1.067  -6.958
   10    HE3  LYS  16           HE3      LYS  16  -2.422   0.587  -6.349
   11    HZ3  LYS  16           HZ1      LYS  16  -0.557   0.262  -5.092
   12    HZ2  LYS  16           HZ2      LYS  16  -0.211  -0.765  -6.390
   13    HZ1  LYS  16           HZ3      LYS  16  -0.794  -1.406  -4.937

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   PRO  17           HA       PRO  17  -7.565  -3.607  -1.095
    2    HB2  PRO  17           HB2      PRO  17  -6.688  -5.739  -2.559
    3    HB3  PRO  17           HB3      PRO  17  -7.974  -4.651  -3.092
    4    HG2  PRO  17           HG2      PRO  17  -5.078  -4.674  -3.844
    5    HG3  PRO  17           HG3      PRO  17  -6.500  -4.427  -4.874
    6    HD2  PRO  17           HD2      PRO  17  -4.976  -2.374  -4.019
    7    HD3  PRO  17           HD3      PRO  17  -6.731  -2.217  -4.243

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  18           H        ALA  18  -7.115  -5.010   0.543
    2    HA   ALA  18           HA       ALA  18  -4.598  -4.951   1.765
    3    HB1  ALA  18           HB1      ALA  18  -6.382  -5.377   3.197
    4    HB2  ALA  18           HB2      ALA  18  -5.561  -6.935   3.097
    5    HB3  ALA  18           HB3      ALA  18  -7.032  -6.652   2.166

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  19           H        GLY  19  -3.131  -6.729   2.199
    2    HA3  GLY  19           HA2      GLY  19  -1.780  -8.476   1.566
    3    HA2  GLY  19           HA3      GLY  19  -3.179  -9.152   0.745

  No H/Q in entry =           3
  In of MODEL    4
    1    H    THR  20           H        THR  20  -2.137  -5.971  -0.120
    2    HA   THR  20           HA       THR  20  -1.037  -7.053  -2.630
    3    HB   THR  20           HB       THR  20  -2.438  -4.412  -2.168
    4    HG1  THR  20           HG1      THR  20  -3.930  -6.053  -2.181
    5   HG21  THR  20          HG21      THR  20  -0.649  -4.613  -4.038
    6   HG23  THR  20          HG22      THR  20  -2.220  -3.892  -4.390
    7   HG22  THR  20          HG23      THR  20  -1.889  -5.559  -4.860

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR  21           H        THR  21   1.008  -6.578  -3.117
    2    HA   THR  21           HA       THR  21   2.720  -5.303  -1.309
    3    HB   THR  21           HB       THR  21   3.972  -5.151  -3.814
    4    HG1  THR  21           HG1      THR  21   2.941  -6.490  -5.027
    5   HG21  THR  21          HG21      THR  21   3.988  -7.362  -1.778
    6   HG23  THR  21          HG22      THR  21   5.096  -5.993  -1.879
    7   HG22  THR  21          HG23      THR  21   5.110  -7.234  -3.133

  No H/Q in entry =           7
  In of MODEL    4
    1    H    CYS  22           H        CYS  22   3.680  -3.289  -1.263
    2    HA   CYS  22           HA       CYS  22   2.541  -1.265  -3.074
    3    HB2  CYS  22           HB2      CYS  22   2.657   0.331  -1.139
    4    HB3  CYS  22           HB3      CYS  22   1.467  -0.953  -0.957

  No H/Q in entry =           4
  In of MODEL    4
    1    H    TRP  23           H        TRP  23   5.241  -2.105  -0.938
    2    HA   TRP  23           HA       TRP  23   6.955  -0.308  -2.525
    3    HB2  TRP  23           HB2      TRP  23   6.715   0.240  -0.082
    4    HB3  TRP  23           HB3      TRP  23   7.485  -1.302   0.281
    5    HD1  TRP  23           HD1      TRP  23   8.492   1.485  -2.239
    6    HE1  TRP  23           HE1      TRP  23  10.953   2.094  -1.792
    7    HE3  TRP  23           HE3      TRP  23   9.382  -1.597   1.742
    8    HZ2  TRP  23           HZ2      TRP  23  13.000   1.364   0.009
    9    HZ3  TRP  23           HZ3      TRP  23  11.618  -1.582   2.769
   10    HH2  TRP  23           HH2      TRP  23  13.389  -0.132   1.918

  No H/Q in entry =          10
  In of MODEL    4
    1    H    ARG  24           H        ARG  24   7.313  -1.924  -4.114
    2    HA   ARG  24           HA       ARG  24   8.300  -4.506  -3.522
    3    HB2  ARG  24           HB2      ARG  24   8.094  -2.804  -5.953
    4    HB3  ARG  24           HB3      ARG  24   9.216  -4.157  -6.007
    5    HG2  ARG  24           HG2      ARG  24   7.261  -5.051  -6.861
    6    HG3  ARG  24           HG3      ARG  24   7.229  -5.562  -5.172
    7    HD2  ARG  24           HD2      ARG  24   5.073  -4.783  -5.506
    8    HD3  ARG  24           HD3      ARG  24   5.880  -3.388  -4.791
    9    HE   ARG  24           HE       ARG  24   5.965  -3.375  -7.652
   10   HH11  ARG  24          HH11      ARG  24   4.005  -2.583  -4.876
   11   HH12  ARG  24          HH12      ARG  24   3.088  -1.374  -5.711
   12   HH21  ARG  24          HH21      ARG  24   4.760  -1.785  -8.752
   13   HH22  ARG  24          HH22      ARG  24   3.517  -0.922  -7.912

  No H/Q in entry =          13
  In of MODEL    4
    1    H    THR  25           H        THR  25  10.484  -5.281  -4.257
    2    HA   THR  25           HA       THR  25  12.656  -3.400  -4.207
    3    HB   THR  25           HB       THR  25  12.907  -5.390  -2.023
    4    HG1  THR  25           HG1      THR  25  11.780  -4.006  -0.593
    5   HG22  THR  25          HG21      THR  25  13.490  -2.636  -1.388
    6   HG21  THR  25          HG22      THR  25  14.341  -3.173  -2.836
    7   HG23  THR  25          HG23      THR  25  14.530  -4.059  -1.323

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  26           H        SER  26  14.801  -4.864  -3.801
    2    HA   SER  26           HA       SER  26  14.821  -6.670  -6.019
    3    HB2  SER  26           HB2      SER  26  16.836  -5.547  -4.144
    4    HB3  SER  26           HB3      SER  26  17.242  -7.072  -4.931
    5    HG   SER  26           HG       SER  26  16.913  -6.069  -6.931

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL  27           H        VAL  27  14.687  -6.987  -2.543
    2    HA   VAL  27           HA       VAL  27  13.942  -9.754  -2.777
    3    HB   VAL  27           HB       VAL  27  16.395  -9.949  -2.809
    4   HG11  VAL  27          HG11      VAL  27  16.640  -7.816  -1.366
    5   HG13  VAL  27          HG12      VAL  27  17.803  -9.126  -1.161
    6   HG12  VAL  27          HG13      VAL  27  16.492  -8.921   0.000
    7   HG22  VAL  27          HG21      VAL  27  15.822 -11.891  -1.865
    8   HG21  VAL  27          HG22      VAL  27  14.645 -11.125  -0.800
    9   HG23  VAL  27          HG23      VAL  27  16.347 -11.174  -0.342

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  28           H        SER  28  12.398  -7.753  -1.889
    2    HA   SER  28           HA       SER  28  11.993  -8.474   0.890
    3    HB2  SER  28           HB2      SER  28  12.899  -5.787   0.017
    4    HB3  SER  28           HB3      SER  28  11.606  -5.831   1.216
    5    HG   SER  28           HG       SER  28  13.050  -6.329   2.642

  No H/Q in entry =           5
  In of MODEL    4
    1    H    SER  29           H        SER  29  10.794  -5.724  -0.983
    2    HA   SER  29           HA       SER  29   8.707  -5.132  -1.668
    3    HB2  SER  29           HB2      SER  29   8.655  -8.114  -1.976
    4    HB3  SER  29           HB3      SER  29   7.176  -7.188  -2.231
    5    HG   SER  29           HG       SER  29   8.552  -7.554  -4.129

  No H/Q in entry =           5
  In of MODEL    4
    1    H    HIS  30           H        HIS  30   7.535  -4.133  -0.169
    2    HA   HIS  30           HA       HIS  30   6.649  -5.546   2.208
    3    HB2  HIS  30           HB2      HIS  30   6.474  -2.658   1.345
    4    HB3  HIS  30           HB3      HIS  30   5.735  -3.259   2.826
    5    HD1  HIS  30           HD1      HIS  30   7.470  -1.412   3.852
    6    HD2  HIS  30           HD2      HIS  30   9.108  -4.913   2.328
    7    HE1  HIS  30           HE1      HIS  30   9.782  -1.553   4.831
    8    HE2  HIS  30           HE2      HIS  30  10.785  -3.636   3.828

  No H/Q in entry =           8
  In of MODEL    4
    1    H    TYR  31           H        TYR  31   4.471  -5.703   2.868
    2    HA   TYR  31           HA       TYR  31   2.563  -5.660   0.629
    3    HB2  TYR  31           HB2      TYR  31   2.930  -7.467   2.970
    4    HB3  TYR  31           HB3      TYR  31   1.290  -7.206   2.386
    5    HD1  TYR  31           HD1      TYR  31   4.223  -9.131   2.006
    6    HD2  TYR  31           HD2      TYR  31   0.946  -7.536  -0.190
    7    HE1  TYR  31           HE1      TYR  31   4.590 -10.812   0.249
    8    HE2  TYR  31           HE2      TYR  31   1.304  -9.213  -1.953
    9    HH   TYR  31           HH       TYR  31   2.873 -11.911  -1.634

  No H/Q in entry =           9
  In of MODEL    4
    1    H    CYS  32           H        CYS  32   0.286  -5.210   1.216
    2    HA   CYS  32           HA       CYS  32   0.159  -3.118   3.286
    3    HB2  CYS  32           HB2      CYS  32  -1.019  -3.344   0.564
    4    HB3  CYS  32           HB3      CYS  32  -1.985  -2.540   1.797

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR  33           H        THR  33  -2.132  -2.779   4.133
    2    HA   THR  33           HA       THR  33  -3.378  -5.406   4.620
    3    HB   THR  33           HB       THR  33  -3.802  -4.823   6.861
    4    HG1  THR  33           HG1      THR  33  -3.570  -2.726   7.640
    5   HG22  THR  33          HG21      THR  33  -1.160  -3.468   6.451
    6   HG21  THR  33          HG22      THR  33  -1.358  -5.217   6.341
    7   HG23  THR  33          HG23      THR  33  -1.725  -4.381   7.850

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  34           H        GLY  34  -3.921  -3.025   2.704
    2    HA3  GLY  34           HA2      GLY  34  -5.753  -1.948   1.836
    3    HA2  GLY  34           HA3      GLY  34  -6.655  -3.326   2.445

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ARG  35           H        ARG  35  -4.920  -1.293   4.659
    2    HA   ARG  35           HA       ARG  35  -7.488  -0.171   5.569
    3    HB2  ARG  35           HB2      ARG  35  -6.240  -1.856   7.063
    4    HB3  ARG  35           HB3      ARG  35  -5.084  -0.559   7.336
    5    HG2  ARG  35           HG2      ARG  35  -6.448  -0.206   9.110
    6    HG3  ARG  35           HG3      ARG  35  -7.291   0.785   7.918
    7    HD2  ARG  35           HD2      ARG  35  -8.503  -1.528   7.429
    8    HD3  ARG  35           HD3      ARG  35  -8.050  -1.828   9.106
    9    HE   ARG  35           HE       ARG  35 -10.100  -0.080   8.171
   10   HH11  ARG  35          HH11      ARG  35  -7.761  -0.540  10.720
   11   HH12  ARG  35          HH12      ARG  35  -8.663   0.372  11.883
   12   HH21  ARG  35          HH21      ARG  35 -11.288   1.120   9.699
   13   HH22  ARG  35          HH22      ARG  35 -10.665   1.314  11.304

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  36           H        SER  36  -4.080   0.459   4.993
    2    HA   SER  36           HA       SER  36  -4.683   3.323   4.921
    3    HB2  SER  36           HB2      SER  36  -2.754   1.961   6.722
    4    HB3  SER  36           HB3      SER  36  -2.212   3.462   5.971
    5    HG   SER  36           HG       SER  36  -3.329   4.411   7.465

  No H/Q in entry =           5
  In of MODEL    4
    1    H    CYS  37           H        CYS  37  -3.239   4.569   3.634
    2    HA   CYS  37           HA       CYS  37  -2.313   3.194   1.315
    3    HB2  CYS  37           HB2      CYS  37  -2.631   5.977   2.192
    4    HB3  CYS  37           HB3      CYS  37  -1.257   5.723   1.122

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU  38           H        GLU  38  -0.843   4.207   4.277
    2    HA   GLU  38           HA       GLU  38   1.857   4.157   3.284
    3    HB2  GLU  38           HB2      GLU  38   0.734   5.347   5.418
    4    HB3  GLU  38           HB3      GLU  38   1.337   3.888   6.192
    5    HG2  GLU  38           HG2      GLU  38   3.168   5.440   4.436
    6    HG3  GLU  38           HG3      GLU  38   2.800   6.054   6.047

  No H/Q in entry =           6
  In of MODEL    4
    1    H    CYS  39           H        CYS  39   3.496   2.673   4.019
    2    HA   CYS  39           HA       CYS  39   2.428  -0.034   4.484
    3    HB2  CYS  39           HB2      CYS  39   5.101   0.595   3.239
    4    HB3  CYS  39           HB3      CYS  39   4.222  -0.930   3.213

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   PRO  40           HA       PRO  40   4.710   0.853   8.347
    2    HB2  PRO  40           HB2      PRO  40   3.420  -1.041   9.817
    3    HB3  PRO  40           HB3      PRO  40   2.769   0.577   9.539
    4    HG2  PRO  40           HG2      PRO  40   2.120  -1.992   8.146
    5    HG3  PRO  40           HG3      PRO  40   1.025  -0.710   8.699
    6    HD2  PRO  40           HD2      PRO  40   1.784  -0.947   6.117
    7    HD3  PRO  40           HD3      PRO  40   1.466   0.629   6.871

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  41           H        SER  41   6.337  -0.226   6.738
    2    HA   SER  41           HA       SER  41   7.878  -1.854   6.260
    3    HB2  SER  41           HB2      SER  41   8.258  -0.940   8.739
    4    HB3  SER  41           HB3      SER  41   7.944  -2.630   9.134
    5    HG   SER  41           HG       SER  41   9.749  -3.218   8.148

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  42           H        TYR  42   5.113  -2.787   6.147
    2    HA   TYR  42           HA       TYR  42   4.763  -5.289   7.344
    3    HB2  TYR  42           HB2      TYR  42   3.361  -3.670   5.500
    4    HB3  TYR  42           HB3      TYR  42   3.541  -5.249   4.742
    5    HD1  TYR  42           HD1      TYR  42   2.715  -3.899   8.136
    6    HD2  TYR  42           HD2      TYR  42   1.804  -6.716   5.081
    7    HE1  TYR  42           HE1      TYR  42   0.848  -4.754   9.489
    8    HE2  TYR  42           HE2      TYR  42  -0.066  -7.578   6.425
    9    HH   TYR  42           HH       TYR  42  -1.593  -6.330   8.469

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   PRO  43           HA       PRO  43   8.132  -7.448   5.236
    2    HB2  PRO  43           HB2      PRO  43   6.655  -9.739   6.443
    3    HB3  PRO  43           HB3      PRO  43   8.382  -9.366   6.484
    4    HG2  PRO  43           HG2      PRO  43   6.858  -8.947   8.624
    5    HG3  PRO  43           HG3      PRO  43   8.140  -7.803   8.182
    6    HD2  PRO  43           HD2      PRO  43   5.184  -7.567   7.838
    7    HD3  PRO  43           HD3      PRO  43   6.380  -6.314   8.227

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  44           H        GLY  44   8.053  -9.702   3.990
    2    HA3  GLY  44           HA2      GLY  44   5.652 -10.439   2.690
    3    HA2  GLY  44           HA3      GLY  44   6.539  -9.306   1.681

  No H/Q in entry =           3
  In of MODEL    5
    1    H1   ALA   1           H2       ALA   1 -11.429  14.968   6.334
    2    H2   ALA   1           H1       ALA   1 -11.726  16.620   6.691
    3    H3   ALA   1           H3       ALA   1 -12.845  15.735   5.742
    4    HA   ALA   1           HA       ALA   1 -11.724  16.962   4.218
    5    HB2  ALA   1           HB1      ALA   1  -9.194  17.041   4.238
    6    HB1  ALA   1           HB2      ALA   1  -9.281  16.353   5.860
    7    HB3  ALA   1           HB3      ALA   1 -10.014  17.923   5.527

  No H/Q in entry =           7
  In of MODEL    5
    1    H    MET   2           H        MET   2 -12.553  14.192   4.468
    2    HA   MET   2           HA       MET   2 -10.615  12.524   3.192
    3    HB2  MET   2           HB2      MET   2 -13.586  12.210   3.631
    4    HB3  MET   2           HB3      MET   2 -12.580  10.975   2.887
    5    HG2  MET   2           HG2      MET   2 -11.174  11.381   5.121
    6    HG3  MET   2           HG3      MET   2 -12.778  11.820   5.706
    7    HE1  MET   2           HE1      MET   2 -10.461   9.196   4.251
    8    HE3  MET   2           HE2      MET   2 -11.107   7.705   4.936
    9    HE2  MET   2           HE3      MET   2 -10.488   8.968   6.000

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP   3           H        ASP   3 -10.725  11.652   1.065
    2    HA   ASP   3           HA       ASP   3 -12.529  12.490  -0.914
    3    HB2  ASP   3           HB2      ASP   3 -11.073  14.622  -0.312
    4    HB3  ASP   3           HB3      ASP   3  -9.912  13.849  -1.388

  No H/Q in entry =           4
  In of MODEL    5
    1    H    CYS   4           H        CYS   4  -9.022  11.926  -0.576
    2    HA   CYS   4           HA       CYS   4  -9.252   9.445  -2.046
    3    HB2  CYS   4           HB2      CYS   4  -7.814  11.847  -3.158
    4    HB3  CYS   4           HB3      CYS   4  -7.378  10.207  -3.628

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR   5           H        THR   5  -8.198   8.125  -0.725
    2    HA   THR   5           HA       THR   5  -6.103   8.986   1.008
    3    HB   THR   5           HB       THR   5  -5.960   6.644   1.676
    4    HG1  THR   5           HG1      THR   5  -6.227   5.737  -0.424
    5   HG23  THR   5          HG21      THR   5  -8.058   6.346   2.601
    6   HG22  THR   5          HG22      THR   5  -8.879   7.086   1.227
    7   HG21  THR   5          HG23      THR   5  -7.969   8.091   2.355

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR   6           H        THR   6  -4.211   9.590   0.152
    2    HA   THR   6           HA       THR   6  -3.103   8.143  -2.122
    3    HB   THR   6           HB       THR   6  -1.571  10.344  -0.860
    4    HG1  THR   6           HG1      THR   6  -4.063  10.750  -2.145
    5   HG22  THR   6          HG21      THR   6  -1.381  11.107  -3.193
    6   HG21  THR   6          HG22      THR   6  -2.365   9.732  -3.694
    7   HG23  THR   6          HG23      THR   6  -0.789   9.463  -2.950

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY   7           H        GLY   7  -0.936   7.323  -2.121
    2    HA3  GLY   7           HA2      GLY   7   1.019   7.091  -0.414
    3    HA2  GLY   7           HA3      GLY   7  -0.203   6.217   0.497

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO   8           HA       PRO   8   2.073   3.237  -2.299
    2    HB2  PRO   8           HB2      PRO   8   2.709   1.439  -0.372
    3    HB3  PRO   8           HB3      PRO   8   3.729   2.830  -0.758
    4    HG2  PRO   8           HG2      PRO   8   1.757   2.484   1.467
    5    HG3  PRO   8           HG3      PRO   8   3.378   3.203   1.509
    6    HD2  PRO   8           HD2      PRO   8   1.114   4.694   1.410
    7    HD3  PRO   8           HD3      PRO   8   2.642   5.219   0.675

  No H/Q in entry =           7
  In of MODEL    5
    1    H    CYS   9           H        CYS   9  -0.149   2.617   0.399
    2    HA   CYS   9           HA       CYS   9  -1.212   0.260  -0.931
    3    HB2  CYS   9           HB2      CYS   9  -1.281   1.375   1.781
    4    HB3  CYS   9           HB3      CYS   9  -2.815   0.687   1.264

  No H/Q in entry =           4
  In of MODEL    5
    1    H    CYS  10           H        CYS  10  -1.675   2.223  -2.609
    2    HA   CYS  10           HA       CYS  10  -4.431   2.242  -3.000
    3    HB2  CYS  10           HB2      CYS  10  -4.605   4.872  -2.698
    4    HB3  CYS  10           HB3      CYS  10  -4.953   3.771  -1.370

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ARG  11           H        ARG  11  -4.714   2.521  -5.114
    2    HA   ARG  11           HA       ARG  11  -2.594   3.153  -6.832
    3    HB2  ARG  11           HB2      ARG  11  -4.402   1.759  -7.595
    4    HB3  ARG  11           HB3      ARG  11  -5.570   3.046  -7.335
    5    HG2  ARG  11           HG2      ARG  11  -5.175   2.921  -9.664
    6    HG3  ARG  11           HG3      ARG  11  -4.355   4.372  -9.083
    7    HD2  ARG  11           HD2      ARG  11  -2.302   3.555  -9.545
    8    HD3  ARG  11           HD3      ARG  11  -2.738   1.911  -9.079
    9    HE   ARG  11           HE       ARG  11  -3.947   2.773 -11.540
   10   HH11  ARG  11          HH11      ARG  11  -1.112   1.341 -10.094
   11   HH12  ARG  11          HH12      ARG  11  -0.618   0.545 -11.551
   12   HH21  ARG  11          HH21      ARG  11  -3.299   1.726 -13.456
   13   HH22  ARG  11          HH22      ARG  11  -1.859   0.764 -13.460

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  12           H        GLN  12  -5.578   4.977  -7.239
    2    HA   GLN  12           HA       GLN  12  -4.009   7.459  -7.017
    3    HB2  GLN  12           HB2      GLN  12  -4.941   6.522  -9.355
    4    HB3  GLN  12           HB3      GLN  12  -6.360   7.415  -8.824
    5    HG2  GLN  12           HG2      GLN  12  -5.225   9.453  -8.828
    6    HG3  GLN  12           HG3      GLN  12  -3.644   8.675  -8.849
    7   HE21  GLN  12          HE21      GLN  12  -6.470   9.477 -10.737
    8   HE22  GLN  12          HE22      GLN  12  -5.731   9.283 -12.287

  No H/Q in entry =           8
  In of MODEL    5
    1    H    CYS  13           H        CYS  13  -6.844   5.739  -6.117
    2    HA   CYS  13           HA       CYS  13  -7.552   7.575  -4.119
    3    HB2  CYS  13           HB2      CYS  13  -8.288   8.887  -6.131
    4    HB3  CYS  13           HB3      CYS  13  -9.447   7.608  -6.475

  No H/Q in entry =           4
  In of MODEL    5
    1    H    LYS  14           H        LYS  14  -7.189   4.753  -4.442
    2    HA   LYS  14           HA       LYS  14  -9.667   3.866  -3.228
    3    HB2  LYS  14           HB2      LYS  14  -8.764   3.003  -5.915
    4    HB3  LYS  14           HB3      LYS  14  -9.324   1.731  -4.838
    5    HG2  LYS  14           HG2      LYS  14 -11.474   2.416  -4.919
    6    HG3  LYS  14           HG3      LYS  14 -11.041   4.123  -5.047
    7    HD2  LYS  14           HD2      LYS  14 -10.728   4.002  -7.343
    8    HD3  LYS  14           HD3      LYS  14 -10.490   2.253  -7.318
    9    HE2  LYS  14           HE2      LYS  14 -12.996   2.346  -6.406
   10    HE3  LYS  14           HE3      LYS  14 -12.995   3.837  -7.347
   11    HZ2  LYS  14           HZ1      LYS  14 -13.645   1.605  -8.459
   12    HZ1  LYS  14           HZ2      LYS  14 -11.974   1.362  -8.561
   13    HZ3  LYS  14           HZ3      LYS  14 -12.679   2.708  -9.304

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  15           H        LEU  15  -9.183   2.679  -1.506
    2    HA   LEU  15           HA       LEU  15  -6.625   2.070  -0.670
    3    HB2  LEU  15           HB2      LEU  15  -9.344   1.180   0.088
    4    HB3  LEU  15           HB3      LEU  15  -8.020   0.166   0.629
    5    HG   LEU  15           HG       LEU  15  -8.193   3.125   1.186
    6   HD11  LEU  15          HD11      LEU  15 -10.053   1.963   2.250
    7   HD13  LEU  15          HD12      LEU  15  -8.872   2.500   3.445
    8   HD12  LEU  15          HD13      LEU  15  -8.930   0.805   2.963
    9   HD21  LEU  15          HD21      LEU  15  -5.936   2.070   1.197
   10   HD23  LEU  15          HD22      LEU  15  -6.500   0.991   2.473
   11   HD22  LEU  15          HD23      LEU  15  -6.429   2.730   2.755

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  16           H        LYS  16  -5.179   0.851  -1.692
    2    HA   LYS  16           HA       LYS  16  -5.587  -1.005  -3.658
    3    HB2  LYS  16           HB2      LYS  16  -3.395  -0.458  -1.747
    4    HB3  LYS  16           HB3      LYS  16  -3.356  -2.032  -2.530
    5    HG2  LYS  16           HG2      LYS  16  -3.662  -0.707  -4.718
    6    HG3  LYS  16           HG3      LYS  16  -3.160   0.687  -3.758
    7    HD2  LYS  16           HD2      LYS  16  -1.080  -0.411  -3.187
    8    HD3  LYS  16           HD3      LYS  16  -1.590  -1.876  -4.029
    9    HE2  LYS  16           HE2      LYS  16  -1.839  -0.253  -6.068
   10    HE3  LYS  16           HE3      LYS  16  -0.728   0.756  -5.143
   11    HZ3  LYS  16           HZ1      LYS  16   0.881  -0.989  -5.136
   12    HZ2  LYS  16           HZ2      LYS  16   0.379  -0.756  -6.734
   13    HZ1  LYS  16           HZ3      LYS  16  -0.200  -2.077  -5.851

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   PRO  17           HA       PRO  17  -7.372  -4.589  -1.800
    2    HB2  PRO  17           HB2      PRO  17  -6.322  -6.547  -3.385
    3    HB3  PRO  17           HB3      PRO  17  -7.634  -5.479  -3.895
    4    HG2  PRO  17           HG2      PRO  17  -4.707  -5.305  -4.493
    5    HG3  PRO  17           HG3      PRO  17  -6.088  -5.045  -5.574
    6    HD2  PRO  17           HD2      PRO  17  -4.715  -2.997  -4.479
    7    HD3  PRO  17           HD3      PRO  17  -6.461  -2.905  -4.787

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  18           H        ALA  18  -6.893  -5.822  -0.086
    2    HA   ALA  18           HA       ALA  18  -4.377  -5.846   1.111
    3    HB2  ALA  18           HB1      ALA  18  -6.157  -8.115   1.742
    4    HB1  ALA  18           HB2      ALA  18  -6.846  -6.503   1.941
    5    HB3  ALA  18           HB3      ALA  18  -5.378  -6.949   2.811

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  19           H        GLY  19  -2.576  -6.861   0.550
    2    HA3  GLY  19           HA2      GLY  19  -1.474  -9.030   0.291
    3    HA2  GLY  19           HA3      GLY  19  -2.802  -9.498  -0.761

  No H/Q in entry =           3
  In of MODEL    5
    1    H    THR  20           H        THR  20  -1.669  -6.284  -1.129
    2    HA   THR  20           HA       THR  20  -0.242  -7.080  -3.579
    3    HB   THR  20           HB       THR  20  -1.728  -4.512  -2.992
    4    HG1  THR  20           HG1      THR  20  -2.341  -6.710  -4.671
    5   HG21  THR  20          HG21      THR  20   0.271  -4.392  -4.587
    6   HG23  THR  20          HG22      THR  20  -1.282  -3.765  -5.141
    7   HG22  THR  20          HG23      THR  20  -0.728  -5.350  -5.682

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR  21           H        THR  21   1.884  -6.896  -3.369
    2    HA   THR  21           HA       THR  21   3.182  -5.488  -1.318
    3    HB   THR  21           HB       THR  21   4.959  -5.764  -3.532
    4    HG1  THR  21           HG1      THR  21   4.440  -7.613  -4.409
    5   HG22  THR  21          HG21      THR  21   5.105  -8.003  -1.775
    6   HG21  THR  21          HG22      THR  21   4.839  -6.533  -0.838
    7   HG23  THR  21          HG23      THR  21   6.210  -6.639  -1.942

  No H/Q in entry =           7
  In of MODEL    5
    1    H    CYS  22           H        CYS  22   3.991  -3.469  -1.153
    2    HA   CYS  22           HA       CYS  22   3.463  -1.641  -3.398
    3    HB2  CYS  22           HB2      CYS  22   3.325   0.148  -1.757
    4    HB3  CYS  22           HB3      CYS  22   2.229  -1.155  -1.310

  No H/Q in entry =           4
  In of MODEL    5
    1    H    TRP  23           H        TRP  23   5.834  -2.522  -0.933
    2    HA   TRP  23           HA       TRP  23   7.857  -0.972  -2.408
    3    HB2  TRP  23           HB2      TRP  23   7.605  -0.181  -0.128
    4    HB3  TRP  23           HB3      TRP  23   7.793  -1.816   0.497
    5    HD1  TRP  23           HD1      TRP  23  10.026  -1.801   1.752
    6    HE1  TRP  23           HE1      TRP  23  12.437  -1.084   1.208
    7    HE3  TRP  23           HE3      TRP  23   9.225   0.354  -2.818
    8    HZ2  TRP  23           HZ2      TRP  23  13.816   0.221  -0.880
    9    HZ3  TRP  23           HZ3      TRP  23  11.144   1.312  -4.021
   10    HH2  TRP  23           HH2      TRP  23  13.391   1.247  -3.070

  No H/Q in entry =          10
  In of MODEL    5
    1    H    ARG  24           H        ARG  24   8.142  -2.706  -3.910
    2    HA   ARG  24           HA       ARG  24  10.037  -4.689  -2.943
    3    HB2  ARG  24           HB2      ARG  24   7.789  -5.761  -2.795
    4    HB3  ARG  24           HB3      ARG  24   7.596  -5.512  -4.525
    5    HG2  ARG  24           HG2      ARG  24   9.981  -6.803  -4.446
    6    HG3  ARG  24           HG3      ARG  24   9.148  -7.525  -3.068
    7    HD2  ARG  24           HD2      ARG  24   7.576  -8.527  -4.369
    8    HD3  ARG  24           HD3      ARG  24   7.603  -7.245  -5.578
    9    HE   ARG  24           HE       ARG  24  10.033  -8.501  -5.798
   10   HH11  ARG  24          HH11      ARG  24   6.689  -9.466  -6.043
   11   HH12  ARG  24          HH12      ARG  24   7.007 -10.733  -7.179
   12   HH21  ARG  24          HH21      ARG  24  10.455 -10.166  -7.294
   13   HH22  ARG  24          HH22      ARG  24   9.145 -11.131  -7.889

  No H/Q in entry =          13
  In of MODEL    5
    1    H    THR  25           H        THR  25  11.375  -3.182  -4.189
    2    HA   THR  25           HA       THR  25  11.025  -2.977  -7.023
    3    HB   THR  25           HB       THR  25  12.144  -1.178  -5.914
    4    HG1  THR  25           HG1      THR  25  14.143  -2.643  -7.284
    5   HG22  THR  25          HG21      THR  25  14.422  -1.533  -4.910
    6   HG21  THR  25          HG22      THR  25  14.045  -3.256  -4.882
    7   HG23  THR  25          HG23      THR  25  13.057  -2.122  -3.961

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  26           H        SER  26  12.834  -5.053  -4.863
    2    HA   SER  26           HA       SER  26  13.111  -7.112  -6.741
    3    HB2  SER  26           HB2      SER  26  14.835  -5.236  -7.482
    4    HB3  SER  26           HB3      SER  26  15.821  -5.973  -6.219
    5    HG   SER  26           HG       SER  26  16.138  -6.918  -8.305

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL  27           H        VAL  27  14.514  -5.546  -3.916
    2    HA   VAL  27           HA       VAL  27  14.903  -8.198  -2.694
    3    HB   VAL  27           HB       VAL  27  16.969  -6.882  -2.875
    4   HG12  VAL  27          HG11      VAL  27  17.226  -4.842  -1.489
    5   HG11  VAL  27          HG12      VAL  27  15.490  -4.875  -1.180
    6   HG13  VAL  27          HG13      VAL  27  16.089  -4.645  -2.823
    7   HG21  VAL  27          HG21      VAL  27  15.927  -7.257  -0.071
    8   HG23  VAL  27          HG22      VAL  27  17.619  -6.969  -0.476
    9   HG22  VAL  27          HG23      VAL  27  16.812  -8.430  -1.046

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  28           H        SER  28  13.448  -5.041  -2.317
    2    HA   SER  28           HA       SER  28  12.613  -5.418   0.388
    3    HB2  SER  28           HB2      SER  28  11.843  -3.449  -1.764
    4    HB3  SER  28           HB3      SER  28  11.078  -3.447  -0.175
    5    HG   SER  28           HG       SER  28  13.409  -2.383  -0.885

  No H/Q in entry =           5
  In of MODEL    5
    1    H    SER  29           H        SER  29  10.154  -5.135   0.857
    2    HA   SER  29           HA       SER  29   8.236  -6.191  -0.897
    3    HB2  SER  29           HB2      SER  29   9.858  -8.209  -0.185
    4    HB3  SER  29           HB3      SER  29   8.741  -8.257   1.179
    5    HG   SER  29           HG       SER  29   8.262  -8.728  -1.540

  No H/Q in entry =           5
  In of MODEL    5
    1    H    HIS  30           H        HIS  30   6.367  -5.431  -0.171
    2    HA   HIS  30           HA       HIS  30   5.724  -5.535   2.659
    3    HB2  HIS  30           HB2      HIS  30   6.098  -2.970   1.136
    4    HB3  HIS  30           HB3      HIS  30   4.982  -3.055   2.494
    5    HD1  HIS  30           HD1      HIS  30   5.966  -2.824   4.782
    6    HD2  HIS  30           HD2      HIS  30   8.851  -3.548   1.880
    7    HE1  HIS  30           HE1      HIS  30   8.177  -2.553   5.949
    8    HE2  HIS  30           HE2      HIS  30   9.907  -2.911   4.153

  No H/Q in entry =           8
  In of MODEL    5
    1    H    TYR  31           H        TYR  31   4.038  -6.905   2.163
    2    HA   TYR  31           HA       TYR  31   2.175  -6.479   0.086
    3    HB2  TYR  31           HB2      TYR  31   2.243  -8.195   2.539
    4    HB3  TYR  31           HB3      TYR  31   0.738  -8.041   1.638
    5    HD1  TYR  31           HD1      TYR  31   4.284  -8.293   0.492
    6    HD2  TYR  31           HD2      TYR  31   0.398 -10.025   0.495
    7    HE1  TYR  31           HE1      TYR  31   5.058 -10.017  -1.082
    8    HE2  TYR  31           HE2      TYR  31   1.161 -11.755  -1.078
    9    HH   TYR  31           HH       TYR  31   4.116 -11.549  -2.744

  No H/Q in entry =           9
  In of MODEL    5
    1    H    CYS  32           H        CYS  32   0.019  -5.751   0.169
    2    HA   CYS  32           HA       CYS  32  -0.393  -3.586   2.052
    3    HB2  CYS  32           HB2      CYS  32  -0.853  -3.466  -0.462
    4    HB3  CYS  32           HB3      CYS  32  -2.281  -4.442  -0.137

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR  33           H        THR  33  -2.055  -3.432   3.528
    2    HA   THR  33           HA       THR  33  -3.247  -5.977   4.314
    3    HB   THR  33           HB       THR  33  -3.639  -5.004   6.440
    4    HG1  THR  33           HG1      THR  33  -4.498  -3.031   5.863
    5   HG22  THR  33          HG21      THR  33  -1.303  -3.436   6.396
    6   HG21  THR  33          HG22      THR  33  -1.047  -4.789   5.293
    7   HG23  THR  33          HG23      THR  33  -1.501  -5.092   6.971

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  34           H        GLY  34  -4.118  -3.741   2.185
    2    HA3  GLY  34           HA2      GLY  34  -6.102  -2.893   1.383
    3    HA2  GLY  34           HA3      GLY  34  -6.743  -4.447   1.892

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ARG  35           H        ARG  35  -5.672  -1.466   3.548
    2    HA   ARG  35           HA       ARG  35  -8.329  -1.050   4.599
    3    HB2  ARG  35           HB2      ARG  35  -6.028  -1.848   6.370
    4    HB3  ARG  35           HB3      ARG  35  -7.427  -0.976   6.982
    5    HG2  ARG  35           HG2      ARG  35  -8.823  -2.870   5.995
    6    HG3  ARG  35           HG3      ARG  35  -7.299  -3.750   5.854
    7    HD2  ARG  35           HD2      ARG  35  -8.064  -4.443   7.919
    8    HD3  ARG  35           HD3      ARG  35  -6.998  -3.107   8.352
    9    HE   ARG  35           HE       ARG  35  -8.811  -2.021   9.197
   10   HH11  ARG  35          HH11      ARG  35  -9.940  -4.408   6.914
   11   HH12  ARG  35          HH12      ARG  35 -11.614  -4.115   7.246
   12   HH21  ARG  35          HH21      ARG  35 -11.013  -1.635   9.635
   13   HH22  ARG  35          HH22      ARG  35 -12.224  -2.541   8.790

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  36           H        SER  36  -4.919  -0.130   4.816
    2    HA   SER  36           HA       SER  36  -5.739   2.680   4.620
    3    HB2  SER  36           HB2      SER  36  -5.293   2.292   6.986
    4    HB3  SER  36           HB3      SER  36  -3.723   1.589   6.598
    5    HG   SER  36           HG       SER  36  -2.970   3.538   6.655

  No H/Q in entry =           5
  In of MODEL    5
    1    H    CYS  37           H        CYS  37  -4.047   4.110   3.849
    2    HA   CYS  37           HA       CYS  37  -2.557   2.935   1.723
    3    HB2  CYS  37           HB2      CYS  37  -2.768   5.727   2.824
    4    HB3  CYS  37           HB3      CYS  37  -1.624   5.331   1.547

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU  38           H        GLU  38  -1.845   3.810   5.000
    2    HA   GLU  38           HA       GLU  38   0.965   4.030   4.781
    3    HB2  GLU  38           HB2      GLU  38  -0.783   4.535   6.759
    4    HB3  GLU  38           HB3      GLU  38  -0.193   2.969   7.298
    5    HG2  GLU  38           HG2      GLU  38   1.869   4.906   6.487
    6    HG3  GLU  38           HG3      GLU  38   0.954   5.309   7.939

  No H/Q in entry =           6
  In of MODEL    5
    1    H    CYS  39           H        CYS  39   1.839   2.356   3.605
    2    HA   CYS  39           HA       CYS  39   1.238  -0.358   3.881
    3    HB2  CYS  39           HB2      CYS  39   3.139   1.236   2.453
    4    HB3  CYS  39           HB3      CYS  39   3.981  -0.129   3.179

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   PRO  40           HA       PRO  40   3.008  -1.892   7.600
    2    HB2  PRO  40           HB2      PRO  40   4.604  -3.772   5.925
    3    HB3  PRO  40           HB3      PRO  40   3.541  -4.111   7.295
    4    HG2  PRO  40           HG2      PRO  40   2.748  -4.625   4.808
    5    HG3  PRO  40           HG3      PRO  40   1.616  -3.972   6.007
    6    HD2  PRO  40           HD2      PRO  40   2.971  -2.598   3.730
    7    HD3  PRO  40           HD3      PRO  40   1.344  -2.347   4.396

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  41           H        SER  41   4.828  -1.679   8.875
    2    HA   SER  41           HA       SER  41   6.958  -0.071   7.761
    3    HB2  SER  41           HB2      SER  41   7.732   0.106  10.103
    4    HB3  SER  41           HB3      SER  41   6.028   0.528   9.943
    5    HG   SER  41           HG       SER  41   7.217  -1.661  11.183

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  42           H        TYR  42   6.480  -3.341   8.894
    2    HA   TYR  42           HA       TYR  42   9.333  -3.917   8.497
    3    HB2  TYR  42           HB2      TYR  42   8.859  -6.040   9.693
    4    HB3  TYR  42           HB3      TYR  42   8.488  -4.616  10.660
    5    HD1  TYR  42           HD1      TYR  42   6.909  -7.185   8.479
    6    HD2  TYR  42           HD2      TYR  42   6.370  -4.362  11.616
    7    HE1  TYR  42           HE1      TYR  42   4.633  -8.040   8.849
    8    HE2  TYR  42           HE2      TYR  42   4.093  -5.210  11.995
    9    HH   TYR  42           HH       TYR  42   2.356  -6.417  10.815

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   PRO  43           HA       PRO  43   8.825  -6.027   4.671
    2    HB2  PRO  43           HB2      PRO  43  10.276  -8.301   5.942
    3    HB3  PRO  43           HB3      PRO  43  10.614  -7.456   4.427
    4    HG2  PRO  43           HG2      PRO  43  12.098  -7.004   6.589
    5    HG3  PRO  43           HG3      PRO  43  11.655  -5.679   5.496
    6    HD2  PRO  43           HD2      PRO  43  10.560  -6.367   8.186
    7    HD3  PRO  43           HD3      PRO  43  10.824  -4.775   7.445

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  44           H        GLY  44   7.059  -7.025   3.947
    2    HA3  GLY  44           HA2      GLY  44   5.407  -8.619   3.717
    3    HA2  GLY  44           HA3      GLY  44   6.226  -9.577   4.941

  No H/Q in entry =           3
  In of MODEL    6
    1    H1   ALA   1           H1       ALA   1 -15.711  10.443   5.503
    2    H2   ALA   1           H3       ALA   1 -15.546  11.396   6.919
    3    H3   ALA   1           H2       ALA   1 -16.707  11.823   5.729
    4    HA   ALA   1           HA       ALA   1 -15.089  12.412   4.203
    5    HB1  ALA   1           HB1      ALA   1 -14.903  13.492   6.950
    6    HB2  ALA   1           HB2      ALA   1 -15.326  14.296   5.439
    7    HB3  ALA   1           HB3      ALA   1 -13.636  13.964   5.817

  No H/Q in entry =           7
  In of MODEL    6
    1    H    MET   2           H        MET   2 -13.981  10.418   3.646
    2    HA   MET   2           HA       MET   2 -11.497   9.885   5.082
    3    HB2  MET   2           HB2      MET   2 -12.788   8.441   2.760
    4    HB3  MET   2           HB3      MET   2 -11.321   7.925   3.581
    5    HG2  MET   2           HG2      MET   2 -12.549   7.593   5.637
    6    HG3  MET   2           HG3      MET   2 -14.021   8.201   4.881
    7    HE2  MET   2           HE1      MET   2 -11.843   4.307   4.409
    8    HE1  MET   2           HE2      MET   2 -11.143   5.924   4.493
    9    HE3  MET   2           HE3      MET   2 -11.597   5.239   2.932

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP   3           H        ASP   3 -12.622  10.889   1.884
    2    HA   ASP   3           HA       ASP   3 -11.577  11.926   0.151
    3    HB2  ASP   3           HB2      ASP   3  -9.549  12.675   2.269
    4    HB3  ASP   3           HB3      ASP   3  -9.696  13.420   0.679

  No H/Q in entry =           4
  In of MODEL    6
    1    H    CYS   4           H        CYS   4  -9.627  11.885  -1.242
    2    HA   CYS   4           HA       CYS   4  -8.665   9.257  -1.546
    3    HB2  CYS   4           HB2      CYS   4  -7.571  11.813  -2.739
    4    HB3  CYS   4           HB3      CYS   4  -7.233  10.183  -3.310

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR   5           H        THR   5  -7.346   8.312  -0.131
    2    HA   THR   5           HA       THR   5  -5.423   9.796   1.406
    3    HB   THR   5           HB       THR   5  -5.529   6.797   1.212
    4    HG1  THR   5           HG1      THR   5  -7.284   8.502   2.637
    5   HG23  THR   5          HG21      THR   5  -4.898   6.831   3.520
    6   HG22  THR   5          HG22      THR   5  -5.031   8.589   3.574
    7   HG21  THR   5          HG23      THR   5  -3.769   7.829   2.603

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR   6           H        THR   6  -4.410  10.602  -0.670
    2    HA   THR   6           HA       THR   6  -2.991   9.107  -2.475
    3    HB   THR   6           HB       THR   6  -1.309  11.170  -2.266
    4    HG1  THR   6           HG1      THR   6  -1.999  12.178  -0.494
    5   HG22  THR   6          HG21      THR   6  -3.709  12.355  -3.215
    6   HG21  THR   6          HG22      THR   6  -3.654  10.674  -3.747
    7   HG23  THR   6          HG23      THR   6  -2.322  11.765  -4.131

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY   7           H        GLY   7  -1.531   7.568  -2.215
    2    HA3  GLY   7           HA2      GLY   7   0.860   7.956  -0.732
    3    HA2  GLY   7           HA3      GLY   7  -0.239   6.904   0.149

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO   8           HA       PRO   8   2.313   4.457  -2.981
    2    HB2  PRO   8           HB2      PRO   8   3.527   2.808  -1.195
    3    HB3  PRO   8           HB3      PRO   8   4.213   4.358  -1.695
    4    HG2  PRO   8           HG2      PRO   8   2.666   3.680   0.776
    5    HG3  PRO   8           HG3      PRO   8   4.122   4.678   0.606
    6    HD2  PRO   8           HD2      PRO   8   1.648   5.747   0.852
    7    HD3  PRO   8           HD3      PRO   8   2.929   6.520  -0.103

  No H/Q in entry =           7
  In of MODEL    6
    1    H    CYS   9           H        CYS   9   0.310   3.679  -0.222
    2    HA   CYS   9           HA       CYS   9  -0.341   1.061  -1.368
    3    HB2  CYS   9           HB2      CYS   9  -0.216   2.134   1.324
    4    HB3  CYS   9           HB3      CYS   9  -1.767   1.361   1.018

  No H/Q in entry =           4
  In of MODEL    6
    1    H    CYS  10           H        CYS  10  -1.255   3.574  -2.548
    2    HA   CYS  10           HA       CYS  10  -4.156   3.121  -2.317
    3    HB2  CYS  10           HB2      CYS  10  -2.787   5.476  -1.637
    4    HB3  CYS  10           HB3      CYS  10  -3.535   5.808  -3.195

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ARG  11           H        ARG  11  -5.379   3.700  -4.253
    2    HA   ARG  11           HA       ARG  11  -3.759   3.454  -6.703
    3    HB2  ARG  11           HB2      ARG  11  -6.058   1.907  -5.745
    4    HB3  ARG  11           HB3      ARG  11  -6.238   2.482  -7.397
    5    HG2  ARG  11           HG2      ARG  11  -4.353   1.306  -8.133
    6    HG3  ARG  11           HG3      ARG  11  -3.766   1.050  -6.489
    7    HD2  ARG  11           HD2      ARG  11  -4.652  -1.013  -6.931
    8    HD3  ARG  11           HD3      ARG  11  -6.054  -0.215  -6.219
    9    HE   ARG  11           HE       ARG  11  -7.117  -0.412  -8.225
   10   HH11  ARG  11          HH11      ARG  11  -3.683  -0.723  -8.769
   11   HH12  ARG  11          HH12      ARG  11  -3.858  -1.117 -10.446
   12   HH21  ARG  11          HH21      ARG  11  -7.348  -0.931 -10.431
   13   HH22  ARG  11          HH22      ARG  11  -5.938  -1.235 -11.390

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  12           H        GLN  12  -3.751   5.784  -6.783
    2    HA   GLN  12           HA       GLN  12  -4.444   7.729  -7.744
    3    HB2  GLN  12           HB2      GLN  12  -5.596   5.984  -9.338
    4    HB3  GLN  12           HB3      GLN  12  -7.066   6.539  -8.548
    5    HG2  GLN  12           HG2      GLN  12  -5.210   8.595  -9.602
    6    HG3  GLN  12           HG3      GLN  12  -6.139   7.648 -10.763
    7   HE21  GLN  12          HE21      GLN  12  -8.148   8.259 -11.187
    8   HE22  GLN  12          HE22      GLN  12  -9.063   9.408 -10.278

  No H/Q in entry =           8
  In of MODEL    6
    1    H    CYS  13           H        CYS  13  -7.421   6.195  -6.560
    2    HA   CYS  13           HA       CYS  13  -7.636   8.121  -4.416
    3    HB2  CYS  13           HB2      CYS  13  -9.265   8.289  -6.882
    4    HB3  CYS  13           HB3      CYS  13 -10.146   8.449  -5.367

  No H/Q in entry =           4
  In of MODEL    6
    1    H    LYS  14           H        LYS  14  -7.431   5.192  -4.783
    2    HA   LYS  14           HA       LYS  14  -9.633   4.475  -3.025
    3    HB2  LYS  14           HB2      LYS  14 -10.305   4.017  -5.449
    4    HB3  LYS  14           HB3      LYS  14  -9.070   2.765  -5.441
    5    HG2  LYS  14           HG2      LYS  14 -10.252   1.780  -3.443
    6    HG3  LYS  14           HG3      LYS  14 -11.566   2.909  -3.777
    7    HD2  LYS  14           HD2      LYS  14 -12.153   1.856  -5.738
    8    HD3  LYS  14           HD3      LYS  14 -10.539   1.186  -5.984
    9    HE2  LYS  14           HE2      LYS  14 -11.048  -0.193  -3.857
   10    HE3  LYS  14           HE3      LYS  14 -12.729   0.230  -4.178
   11    HZ2  LYS  14           HZ1      LYS  14 -10.890  -1.384  -5.831
   12    HZ1  LYS  14           HZ2      LYS  14 -12.262  -0.662  -6.508
   13    HZ3  LYS  14           HZ3      LYS  14 -12.430  -1.788  -5.257

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  15           H        LEU  15  -9.100   2.917  -1.565
    2    HA   LEU  15           HA       LEU  15  -6.443   2.411  -0.970
    3    HB2  LEU  15           HB2      LEU  15  -9.028   1.180  -0.150
    4    HB3  LEU  15           HB3      LEU  15  -7.543   0.352   0.282
    5    HG   LEU  15           HG       LEU  15  -7.790   3.250   0.939
    6   HD11  LEU  15          HD11      LEU  15  -9.279   1.016   2.262
    7   HD13  LEU  15          HD12      LEU  15  -9.843   2.629   1.824
    8   HD12  LEU  15          HD13      LEU  15  -8.741   2.419   3.185
    9   HD22  LEU  15          HD21      LEU  15  -6.385   2.621   2.800
   10   HD21  LEU  15          HD22      LEU  15  -5.693   2.000   1.301
   11   HD23  LEU  15          HD23      LEU  15  -6.555   0.914   2.390

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  16           H        LYS  16  -4.955   1.172  -1.877
    2    HA   LYS  16           HA       LYS  16  -5.384  -0.429  -4.112
    3    HB2  LYS  16           HB2      LYS  16  -3.183   0.505  -2.777
    4    HB3  LYS  16           HB3      LYS  16  -3.088  -1.220  -2.452
    5    HG2  LYS  16           HG2      LYS  16  -2.549  -1.723  -4.573
    6    HG3  LYS  16           HG3      LYS  16  -3.635  -0.508  -5.249
    7    HD2  LYS  16           HD2      LYS  16  -1.958   1.222  -4.438
    8    HD3  LYS  16           HD3      LYS  16  -0.854  -0.128  -4.166
    9    HE2  LYS  16           HE2      LYS  16  -1.673  -0.654  -6.687
   10    HE3  LYS  16           HE3      LYS  16  -1.761   1.107  -6.681
   11    HZ3  LYS  16           HZ1      LYS  16   0.518   1.260  -6.127
   12    HZ2  LYS  16           HZ2      LYS  16   0.417   0.143  -7.393
   13    HZ1  LYS  16           HZ3      LYS  16   0.639  -0.397  -5.805

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   PRO  17           HA       PRO  17  -7.027  -4.309  -2.840
    2    HB2  PRO  17           HB2      PRO  17  -4.718  -5.553  -4.260
    3    HB3  PRO  17           HB3      PRO  17  -6.448  -5.874  -4.428
    4    HG2  PRO  17           HG2      PRO  17  -5.150  -4.459  -6.270
    5    HG3  PRO  17           HG3      PRO  17  -6.796  -4.019  -5.778
    6    HD2  PRO  17           HD2      PRO  17  -4.198  -2.734  -5.074
    7    HD3  PRO  17           HD3      PRO  17  -5.788  -1.993  -5.347

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  18           H        ALA  18  -6.851  -5.468  -1.020
    2    HA   ALA  18           HA       ALA  18  -4.723  -5.166   0.766
    3    HB2  ALA  18           HB1      ALA  18  -6.397  -7.601   0.999
    4    HB1  ALA  18           HB2      ALA  18  -7.223  -6.043   1.037
    5    HB3  ALA  18           HB3      ALA  18  -5.961  -6.401   2.216

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  19           H        GLY  19  -2.727  -5.941   0.627
    2    HA3  GLY  19           HA2      GLY  19  -1.241  -7.820   0.706
    3    HA2  GLY  19           HA3      GLY  19  -2.354  -8.698  -0.331

  No H/Q in entry =           3
  In of MODEL    6
    1    H    THR  20           H        THR  20  -1.537  -5.397  -1.046
    2    HA   THR  20           HA       THR  20   0.030  -6.343  -3.353
    3    HB   THR  20           HB       THR  20  -1.558  -3.787  -3.051
    4    HG1  THR  20           HG1      THR  20  -2.900  -4.788  -4.621
    5   HG23  THR  20          HG21      THR  20  -0.749  -3.029  -4.973
    6   HG22  THR  20          HG22      THR  20  -0.849  -4.615  -5.739
    7   HG21  THR  20          HG23      THR  20   0.553  -4.199  -4.752

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR  21           H        THR  21   2.135  -6.101  -3.020
    2    HA   THR  21           HA       THR  21   3.355  -4.530  -1.090
    3    HB   THR  21           HB       THR  21   4.636  -6.263  -2.051
    4    HG1  THR  21           HG1      THR  21   5.719  -3.909  -3.192
    5   HG23  THR  21          HG21      THR  21   4.578  -6.884  -4.168
    6   HG22  THR  21          HG22      THR  21   5.140  -5.300  -4.703
    7   HG21  THR  21          HG23      THR  21   3.417  -5.589  -4.463

  No H/Q in entry =           7
  In of MODEL    6
    1    H    CYS  22           H        CYS  22   4.641  -2.607  -1.259
    2    HA   CYS  22           HA       CYS  22   3.548  -0.712  -3.225
    3    HB2  CYS  22           HB2      CYS  22   4.358   1.035  -1.584
    4    HB3  CYS  22           HB3      CYS  22   3.042   0.015  -1.014

  No H/Q in entry =           4
  In of MODEL    6
    1    H    TRP  23           H        TRP  23   6.537  -1.814  -1.698
    2    HA   TRP  23           HA       TRP  23   8.101  -0.222  -3.591
    3    HB2  TRP  23           HB2      TRP  23   8.747  -0.059  -1.236
    4    HB3  TRP  23           HB3      TRP  23   8.981  -1.802  -1.167
    5    HD1  TRP  23           HD1      TRP  23  10.262   0.104  -4.206
    6    HE1  TRP  23           HE1      TRP  23  12.836   0.082  -4.179
    7    HE3  TRP  23           HE3      TRP  23  11.009  -1.909   0.434
    8    HZ2  TRP  23           HZ2      TRP  23  14.908  -0.688  -2.424
    9    HZ3  TRP  23           HZ3      TRP  23  13.317  -2.256   1.211
   10    HH2  TRP  23           HH2      TRP  23  15.225  -1.658  -0.189

  No H/Q in entry =          10
  In of MODEL    6
    1    H    ARG  24           H        ARG  24   8.672  -3.426  -2.188
    2    HA   ARG  24           HA       ARG  24   9.362  -5.391  -3.103
    3    HB2  ARG  24           HB2      ARG  24   7.092  -4.746  -4.396
    4    HB3  ARG  24           HB3      ARG  24   8.201  -4.776  -5.760
    5    HG2  ARG  24           HG2      ARG  24   8.907  -7.082  -4.719
    6    HG3  ARG  24           HG3      ARG  24   7.299  -6.992  -3.997
    7    HD2  ARG  24           HD2      ARG  24   6.639  -7.945  -5.923
    8    HD3  ARG  24           HD3      ARG  24   6.747  -6.304  -6.557
    9    HE   ARG  24           HE       ARG  24   9.244  -7.263  -6.927
   10   HH11  ARG  24          HH11      ARG  24   6.083  -8.482  -7.765
   11   HH12  ARG  24          HH12      ARG  24   6.643  -9.320  -9.173
   12   HH21  ARG  24          HH21      ARG  24   9.981  -8.364  -8.779
   13   HH22  ARG  24          HH22      ARG  24   8.855  -9.253  -9.749

  No H/Q in entry =          13
  In of MODEL    6
    1    H    THR  25           H        THR  25  11.518  -5.394  -3.323
    2    HA   THR  25           HA       THR  25  12.666  -4.108  -5.711
    3    HB   THR  25           HB       THR  25  14.442  -4.899  -3.473
    4    HG1  THR  25           HG1      THR  25  13.688  -3.503  -2.081
    5   HG23  THR  25          HG21      THR  25  15.822  -3.412  -4.357
    6   HG22  THR  25          HG22      THR  25  14.578  -2.162  -4.381
    7   HG21  THR  25          HG23      THR  25  14.702  -3.309  -5.715

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  26           H        SER  26  12.614  -7.013  -3.739
    2    HA   SER  26           HA       SER  26  13.069  -8.749  -5.880
    3    HB2  SER  26           HB2      SER  26  15.397  -9.551  -5.038
    4    HB3  SER  26           HB3      SER  26  15.316  -8.132  -6.082
    5    HG   SER  26           HG       SER  26  15.891  -6.884  -4.458

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL  27           H        VAL  27  13.520  -8.205  -2.431
    2    HA   VAL  27           HA       VAL  27  11.980 -10.585  -1.845
    3    HB   VAL  27           HB       VAL  27  14.276 -11.467  -2.003
    4   HG13  VAL  27          HG11      VAL  27  16.077 -10.643  -0.875
    5   HG12  VAL  27          HG12      VAL  27  15.100 -10.008   0.449
    6   HG11  VAL  27          HG13      VAL  27  15.168  -9.146  -1.089
    7   HG21  VAL  27          HG21      VAL  27  12.450 -12.091  -0.179
    8   HG23  VAL  27          HG22      VAL  27  13.718 -11.531   0.911
    9   HG22  VAL  27          HG23      VAL  27  14.040 -12.853  -0.212

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  28           H        SER  28  11.276  -7.967  -1.459
    2    HA   SER  28           HA       SER  28  11.140  -7.846   1.459
    3    HB2  SER  28           HB2      SER  28  12.917  -6.234   0.221
    4    HB3  SER  28           HB3      SER  28  11.476  -5.223   0.117
    5    HG   SER  28           HG       SER  28  12.735  -4.922   2.056

  No H/Q in entry =           5
  In of MODEL    6
    1    H    SER  29           H        SER  29   9.246  -8.661  -0.551
    2    HA   SER  29           HA       SER  29   7.383  -6.613  -1.120
    3    HB2  SER  29           HB2      SER  29   6.807  -9.572  -0.861
    4    HB3  SER  29           HB3      SER  29   5.882  -8.384  -1.779
    5    HG   SER  29           HG       SER  29   7.438  -9.745  -2.976

  No H/Q in entry =           5
  In of MODEL    6
    1    H    HIS  30           H        HIS  30   7.111  -5.479   0.848
    2    HA   HIS  30           HA       HIS  30   6.297  -6.617   3.273
    3    HB2  HIS  30           HB2      HIS  30   5.765  -3.854   2.163
    4    HB3  HIS  30           HB3      HIS  30   5.490  -4.328   3.836
    5    HD1  HIS  30           HD1      HIS  30   7.296  -2.184   3.958
    6    HD2  HIS  30           HD2      HIS  30   8.718  -5.924   2.839
    7    HE1  HIS  30           HE1      HIS  30   9.779  -2.104   4.349
    8    HE2  HIS  30           HE2      HIS  30  10.605  -4.406   3.746

  No H/Q in entry =           8
  In of MODEL    6
    1    H    TYR  31           H        TYR  31   4.483  -5.652   0.438
    2    HA   TYR  31           HA       TYR  31   2.329  -5.994  -0.199
    3    HB2  TYR  31           HB2      TYR  31   2.631  -8.079   1.943
    4    HB3  TYR  31           HB3      TYR  31   1.076  -7.823   1.159
    5    HD1  TYR  31           HD1      TYR  31   1.569  -7.475  -1.594
    6    HD2  TYR  31           HD2      TYR  31   3.683  -9.959   1.137
    7    HE1  TYR  31           HE1      TYR  31   2.268  -8.920  -3.458
    8    HE2  TYR  31           HE2      TYR  31   4.389 -11.410  -0.719
    9    HH   TYR  31           HH       TYR  31   3.577 -11.978  -3.023

  No H/Q in entry =           9
  In of MODEL    6
    1    H    CYS  32           H        CYS  32   0.442  -4.945   0.124
    2    HA   CYS  32           HA       CYS  32   0.199  -3.321   2.482
    3    HB2  CYS  32           HB2      CYS  32  -0.484  -2.856  -0.050
    4    HB3  CYS  32           HB3      CYS  32  -2.022  -3.508   0.504

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR  33           H        THR  33  -2.081  -3.112   3.472
    2    HA   THR  33           HA       THR  33  -3.042  -5.824   4.106
    3    HB   THR  33           HB       THR  33  -2.086  -4.919   6.069
    4    HG1  THR  33           HG1      THR  33  -4.835  -4.277   6.280
    5   HG22  THR  33          HG21      THR  33  -3.148  -2.665   6.922
    6   HG21  THR  33          HG22      THR  33  -3.309  -2.368   5.191
    7   HG23  THR  33          HG23      THR  33  -1.720  -2.687   5.888

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  34           H        GLY  34  -3.898  -3.485   2.146
    2    HA3  GLY  34           HA2      GLY  34  -5.872  -2.713   1.269
    3    HA2  GLY  34           HA3      GLY  34  -6.575  -4.186   1.916

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ARG  35           H        ARG  35  -5.098  -1.888   4.061
    2    HA   ARG  35           HA       ARG  35  -7.772  -1.185   5.064
    3    HB2  ARG  35           HB2      ARG  35  -5.170  -1.720   6.401
    4    HB3  ARG  35           HB3      ARG  35  -6.223  -0.514   7.128
    5    HG2  ARG  35           HG2      ARG  35  -8.017  -2.444   6.804
    6    HG3  ARG  35           HG3      ARG  35  -6.566  -3.445   6.898
    7    HD2  ARG  35           HD2      ARG  35  -6.114  -1.797   8.967
    8    HD3  ARG  35           HD3      ARG  35  -7.877  -1.791   8.968
    9    HE   ARG  35           HE       ARG  35  -6.148  -3.965   9.704
   10   HH11  ARG  35          HH11      ARG  35  -9.330  -3.103   8.560
   11   HH12  ARG  35          HH12      ARG  35 -10.072  -4.551   9.153
   12   HH21  ARG  35          HH21      ARG  35  -7.122  -5.870  10.484
   13   HH22  ARG  35          HH22      ARG  35  -8.819  -6.122  10.246

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  36           H        SER  36  -4.527   0.233   5.261
    2    HA   SER  36           HA       SER  36  -5.723   2.856   4.664
    3    HB2  SER  36           HB2      SER  36  -4.501   2.452   6.893
    4    HB3  SER  36           HB3      SER  36  -3.021   2.439   5.935
    5    HG   SER  36           HG       SER  36  -4.760   4.544   6.513

  No H/Q in entry =           5
  In of MODEL    6
    1    H    CYS  37           H        CYS  37  -4.031   4.402   3.653
    2    HA   CYS  37           HA       CYS  37  -2.837   2.985   1.373
    3    HB2  CYS  37           HB2      CYS  37  -3.878   5.797   1.681
    4    HB3  CYS  37           HB3      CYS  37  -2.886   5.307   0.312

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU  38           H        GLU  38  -1.698   3.601   4.141
    2    HA   GLU  38           HA       GLU  38   0.712   5.039   3.243
    3    HB2  GLU  38           HB2      GLU  38  -0.754   5.903   5.225
    4    HB3  GLU  38           HB3      GLU  38   0.030   4.618   6.133
    5    HG2  GLU  38           HG2      GLU  38   1.421   6.867   4.697
    6    HG3  GLU  38           HG3      GLU  38   1.163   6.746   6.437

  No H/Q in entry =           6
  In of MODEL    6
    1    H    CYS  39           H        CYS  39   1.583   3.108   2.339
    2    HA   CYS  39           HA       CYS  39   1.892   0.648   3.504
    3    HB2  CYS  39           HB2      CYS  39   2.695   1.631   1.190
    4    HB3  CYS  39           HB3      CYS  39   4.226   1.806   2.040

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   PRO  40           HA       PRO  40   4.348   1.953   7.091
    2    HB2  PRO  40           HB2      PRO  40   4.080  -0.379   8.452
    3    HB3  PRO  40           HB3      PRO  40   2.824   0.864   8.426
    4    HG2  PRO  40           HG2      PRO  40   3.030  -1.654   6.819
    5    HG3  PRO  40           HG3      PRO  40   1.615  -0.957   7.630
    6    HD2  PRO  40           HD2      PRO  40   2.043  -0.693   4.971
    7    HD3  PRO  40           HD3      PRO  40   1.233   0.558   5.935

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  41           H        SER  41   6.153   0.736   8.328
    2    HA   SER  41           HA       SER  41   7.966  -0.351   6.313
    3    HB2  SER  41           HB2      SER  41   8.674   0.359   9.159
    4    HB3  SER  41           HB3      SER  41   9.749   0.235   7.767
    5    HG   SER  41           HG       SER  41   8.783   2.411   8.625

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  42           H        TYR  42   6.003  -2.139   6.954
    2    HA   TYR  42           HA       TYR  42   6.945  -3.937   9.013
    3    HB2  TYR  42           HB2      TYR  42   4.595  -3.841   7.172
    4    HB3  TYR  42           HB3      TYR  42   5.050  -5.392   7.870
    5    HD1  TYR  42           HD1      TYR  42   5.110  -1.970   9.353
    6    HD2  TYR  42           HD2      TYR  42   3.439  -5.881   9.470
    7    HE1  TYR  42           HE1      TYR  42   3.906  -1.387  11.416
    8    HE2  TYR  42           HE2      TYR  42   2.229  -5.309  11.533
    9    HH   TYR  42           HH       TYR  42   1.441  -3.377  12.731

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   PRO  43           HA       PRO  43   9.411  -6.610   6.530
    2    HB2  PRO  43           HB2      PRO  43   8.762  -9.082   7.441
    3    HB3  PRO  43           HB3      PRO  43   9.718  -7.933   8.385
    4    HG2  PRO  43           HG2      PRO  43   6.798  -8.571   8.569
    5    HG3  PRO  43           HG3      PRO  43   7.977  -8.337   9.874
    6    HD2  PRO  43           HD2      PRO  43   6.238  -6.404   9.118
    7    HD3  PRO  43           HD3      PRO  43   7.862  -6.038   9.736

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  44           H        GLY  44   9.290  -8.703   5.160
    2    HA3  GLY  44           HA2      GLY  44   6.831  -9.600   4.119
    3    HA2  GLY  44           HA3      GLY  44   7.441  -8.310   3.093

  No H/Q in entry =           3
  In of MODEL    7
    1    H1   ALA   1           H2       ALA   1 -11.904  17.845   1.628
    2    H2   ALA   1           H1       ALA   1 -13.590  17.701   1.918
    3    H3   ALA   1           H3       ALA   1 -12.507  17.877   3.235
    4    HA   ALA   1           HA       ALA   1 -11.599  15.791   2.918
    5    HB2  ALA   1           HB1      ALA   1 -13.514  14.357   3.247
    6    HB1  ALA   1           HB2      ALA   1 -14.580  15.564   2.528
    7    HB3  ALA   1           HB3      ALA   1 -13.782  15.896   4.065

  No H/Q in entry =           7
  In of MODEL    7
    1    H    MET   2           H        MET   2 -10.751  14.380   1.528
    2    HA   MET   2           HA       MET   2 -11.695  14.446  -1.249
    3    HB2  MET   2           HB2      MET   2  -9.087  13.501  -0.050
    4    HB3  MET   2           HB3      MET   2  -9.497  13.355  -1.753
    5    HG2  MET   2           HG2      MET   2  -9.611  15.750  -1.978
    6    HG3  MET   2           HG3      MET   2  -9.345  15.955  -0.248
    7    HE1  MET   2           HE1      MET   2  -7.939  15.703  -3.665
    8    HE3  MET   2           HE2      MET   2  -6.251  16.117  -3.366
    9    HE2  MET   2           HE3      MET   2  -7.531  17.222  -2.866

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP   3           H        ASP   3 -11.005  12.259   1.423
    2    HA   ASP   3           HA       ASP   3 -11.600  10.103   1.833
    3    HB2  ASP   3           HB2      ASP   3 -13.650  10.580  -0.342
    4    HB3  ASP   3           HB3      ASP   3 -13.685   9.285   0.851

  No H/Q in entry =           4
  In of MODEL    7
    1    H    CYS   4           H        CYS   4  -9.544  10.682  -0.138
    2    HA   CYS   4           HA       CYS   4  -9.822   8.381  -1.947
    3    HB2  CYS   4           HB2      CYS   4  -8.500  11.009  -2.173
    4    HB3  CYS   4           HB3      CYS   4  -7.585   9.653  -2.824

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR   5           H        THR   5  -8.332   9.337   0.918
    2    HA   THR   5           HA       THR   5  -6.532   8.608   2.125
    3    HB   THR   5           HB       THR   5  -7.966   6.762   2.529
    4    HG1  THR   5           HG1      THR   5  -6.055   6.120   3.262
    5   HG23  THR   5          HG21      THR   5  -8.731   6.215   0.318
    6   HG22  THR   5          HG22      THR   5  -8.058   4.777   1.085
    7   HG21  THR   5          HG23      THR   5  -7.125   5.645  -0.133

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR   6           H        THR   6  -4.830   9.633   1.059
    2    HA   THR   6           HA       THR   6  -3.525   8.388  -1.184
    3    HB   THR   6           HB       THR   6  -1.750  10.239  -0.483
    4    HG1  THR   6           HG1      THR   6  -2.519  11.754   0.808
    5   HG23  THR   6          HG21      THR   6  -2.545  11.425  -2.184
    6   HG22  THR   6          HG22      THR   6  -4.126  11.621  -1.427
    7   HG21  THR   6          HG23      THR   6  -3.759  10.155  -2.336

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY   7           H        GLY   7  -1.153   7.935  -1.124
    2    HA3  GLY   7           HA2      GLY   7   0.637   7.523   0.707
    3    HA2  GLY   7           HA3      GLY   7  -0.554   6.371   1.291

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO   8           HA       PRO   8   2.291   4.401  -1.923
    2    HB2  PRO   8           HB2      PRO   8   3.503   2.599  -0.306
    3    HB3  PRO   8           HB3      PRO   8   4.125   4.237  -0.542
    4    HG2  PRO   8           HG2      PRO   8   2.483   3.141   1.710
    5    HG3  PRO   8           HG3      PRO   8   3.892   4.217   1.773
    6    HD2  PRO   8           HD2      PRO   8   1.344   5.121   2.000
    7    HD3  PRO   8           HD3      PRO   8   2.643   6.087   1.273

  No H/Q in entry =           7
  In of MODEL    7
    1    H    CYS   9           H        CYS   9   0.203   3.214   0.621
    2    HA   CYS   9           HA       CYS   9  -0.229   0.690  -0.780
    3    HB2  CYS   9           HB2      CYS   9  -0.465   1.598   1.958
    4    HB3  CYS   9           HB3      CYS   9  -1.950   0.813   1.434

  No H/Q in entry =           4
  In of MODEL    7
    1    H    CYS  10           H        CYS  10  -1.076   2.789  -2.290
    2    HA   CYS  10           HA       CYS  10  -4.008   2.548  -2.125
    3    HB2  CYS  10           HB2      CYS  10  -2.629   4.974  -3.258
    4    HB3  CYS  10           HB3      CYS  10  -4.311   4.799  -2.773

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ARG  11           H        ARG  11  -5.096   2.893  -4.242
    2    HA   ARG  11           HA       ARG  11  -3.611   1.495  -6.322
    3    HB2  ARG  11           HB2      ARG  11  -6.113   1.102  -5.442
    4    HB3  ARG  11           HB3      ARG  11  -6.449   2.249  -6.730
    5    HG2  ARG  11           HG2      ARG  11  -5.925   0.780  -8.366
    6    HG3  ARG  11           HG3      ARG  11  -4.670  -0.008  -7.408
    7    HD2  ARG  11           HD2      ARG  11  -6.194  -1.677  -7.334
    8    HD3  ARG  11           HD3      ARG  11  -6.821  -0.729  -5.987
    9    HE   ARG  11           HE       ARG  11  -8.675  -0.236  -7.238
   10   HH11  ARG  11          HH11      ARG  11  -6.201  -1.519  -9.338
   11   HH12  ARG  11          HH12      ARG  11  -7.249  -1.631 -10.711
   12   HH21  ARG  11          HH21      ARG  11 -10.055  -0.383  -9.043
   13   HH22  ARG  11          HH22      ARG  11  -9.437  -0.986 -10.545

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  12           H        GLN  12  -5.018   4.583  -5.640
    2    HA   GLN  12           HA       GLN  12  -3.525   6.072  -7.392
    3    HB2  GLN  12           HB2      GLN  12  -4.538   4.931  -9.266
    4    HB3  GLN  12           HB3      GLN  12  -6.150   5.210  -8.624
    5    HG2  GLN  12           HG2      GLN  12  -4.553   7.629  -9.093
    6    HG3  GLN  12           HG3      GLN  12  -4.975   6.709 -10.536
    7   HE21  GLN  12          HE21      GLN  12  -5.882   9.330  -9.809
    8   HE22  GLN  12          HE22      GLN  12  -7.602   9.248  -9.660

  No H/Q in entry =           8
  In of MODEL    7
    1    H    CYS  13           H        CYS  13  -6.571   5.571  -5.795
    2    HA   CYS  13           HA       CYS  13  -6.465   8.147  -4.563
    3    HB2  CYS  13           HB2      CYS  13  -7.626   8.242  -7.015
    4    HB3  CYS  13           HB3      CYS  13  -9.026   7.875  -6.013

  No H/Q in entry =           4
  In of MODEL    7
    1    H    LYS  14           H        LYS  14  -6.612   5.338  -3.827
    2    HA   LYS  14           HA       LYS  14  -8.482   5.528  -1.719
    3    HB2  LYS  14           HB2      LYS  14  -9.346   4.152  -4.196
    4    HB3  LYS  14           HB3      LYS  14  -9.675   3.310  -2.688
    5    HG2  LYS  14           HG2      LYS  14 -10.577   5.741  -2.030
    6    HG3  LYS  14           HG3      LYS  14 -10.847   5.790  -3.774
    7    HD2  LYS  14           HD2      LYS  14 -12.046   3.608  -3.572
    8    HD3  LYS  14           HD3      LYS  14 -11.900   3.749  -1.819
    9    HE2  LYS  14           HE2      LYS  14 -13.934   4.717  -2.029
   10    HE3  LYS  14           HE3      LYS  14 -12.958   6.147  -2.363
   11    HZ2  LYS  14           HZ1      LYS  14 -14.480   4.462  -4.229
   12    HZ1  LYS  14           HZ2      LYS  14 -13.124   5.300  -4.795
   13    HZ3  LYS  14           HZ3      LYS  14 -14.418   6.149  -4.114

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  15           H        LEU  15  -8.719   3.305  -0.601
    2    HA   LEU  15           HA       LEU  15  -6.164   2.366   0.040
    3    HB2  LEU  15           HB2      LEU  15  -8.717   2.074   1.061
    4    HB3  LEU  15           HB3      LEU  15  -8.298   0.446   0.565
    5    HG   LEU  15           HG       LEU  15  -6.358   2.003   2.221
    6   HD12  LEU  15          HD11      LEU  15  -8.210   0.311   3.729
    7   HD11  LEU  15          HD12      LEU  15  -8.935   1.781   3.076
    8   HD13  LEU  15          HD13      LEU  15  -7.524   1.886   4.128
    9   HD21  LEU  15          HD21      LEU  15  -5.744  -0.175   1.236
   10   HD23  LEU  15          HD22      LEU  15  -7.077  -0.924   2.115
   11   HD22  LEU  15          HD23      LEU  15  -5.735  -0.198   3.000

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  16           H        LYS  16  -4.966   0.632  -0.592
    2    HA   LYS  16           HA       LYS  16  -5.640  -0.550  -3.142
    3    HB2  LYS  16           HB2      LYS  16  -3.294   0.225  -2.170
    4    HB3  LYS  16           HB3      LYS  16  -3.260  -1.428  -1.573
    5    HG2  LYS  16           HG2      LYS  16  -3.189  -2.334  -3.694
    6    HG3  LYS  16           HG3      LYS  16  -3.884  -0.895  -4.443
    7    HD2  LYS  16           HD2      LYS  16  -1.682   0.237  -3.575
    8    HD3  LYS  16           HD3      LYS  16  -1.079  -1.422  -3.571
    9    HE2  LYS  16           HE2      LYS  16  -2.220  -1.365  -5.998
   10    HE3  LYS  16           HE3      LYS  16  -1.798   0.339  -5.835
   11    HZ1  LYS  16           HZ1      LYS  16   0.468  -0.797  -5.050
   12    HZ3  LYS  16           HZ2      LYS  16   0.151  -0.388  -6.660
   13    HZ2  LYS  16           HZ3      LYS  16  -0.073  -1.980  -6.133

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   PRO  17           HA       PRO  17  -7.525  -4.306  -1.806
    2    HB2  PRO  17           HB2      PRO  17  -5.690  -5.641  -3.739
    3    HB3  PRO  17           HB3      PRO  17  -7.448  -5.754  -3.593
    4    HG2  PRO  17           HG2      PRO  17  -6.339  -4.320  -5.541
    5    HG3  PRO  17           HG3      PRO  17  -7.803  -3.755  -4.714
    6    HD2  PRO  17           HD2      PRO  17  -4.981  -2.832  -4.420
    7    HD3  PRO  17           HD3      PRO  17  -6.489  -1.899  -4.342

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  18           H        ALA  18  -7.151  -5.860  -0.301
    2    HA   ALA  18           HA       ALA  18  -4.778  -5.854   1.180
    3    HB1  ALA  18           HB1      ALA  18  -7.254  -6.757   1.656
    4    HB3  ALA  18           HB2      ALA  18  -5.850  -7.251   2.603
    5    HB2  ALA  18           HB3      ALA  18  -6.450  -8.288   1.309

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  19           H        GLY  19  -2.861  -6.480   0.416
    2    HA3  GLY  19           HA2      GLY  19  -1.474  -8.473   0.076
    3    HA2  GLY  19           HA3      GLY  19  -2.730  -9.071  -0.998

  No H/Q in entry =           3
  In of MODEL    7
    1    H    THR  20           H        THR  20  -1.881  -5.716  -1.124
    2    HA   THR  20           HA       THR  20  -0.594  -6.190  -3.726
    3    HB   THR  20           HB       THR  20  -1.863  -3.633  -2.733
    4    HG1  THR  20           HG1      THR  20  -3.593  -4.246  -4.113
    5   HG23  THR  20          HG21      THR  20  -0.422  -3.071  -4.492
    6   HG22  THR  20          HG22      THR  20  -2.025  -3.195  -5.217
    7   HG21  THR  20          HG23      THR  20  -0.862  -4.505  -5.420

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR  21           H        THR  21   1.542  -6.026  -3.693
    2    HA   THR  21           HA       THR  21   3.053  -4.987  -1.587
    3    HB   THR  21           HB       THR  21   4.504  -4.836  -4.081
    4    HG1  THR  21           HG1      THR  21   3.112  -7.262  -3.625
    5   HG23  THR  21          HG21      THR  21   5.684  -5.351  -2.102
    6   HG22  THR  21          HG22      THR  21   5.702  -6.805  -3.101
    7   HG21  THR  21          HG23      THR  21   4.604  -6.693  -1.725

  No H/Q in entry =           7
  In of MODEL    7
    1    H    CYS  22           H        CYS  22   4.285  -3.094  -1.375
    2    HA   CYS  22           HA       CYS  22   3.036  -0.758  -2.541
    3    HB2  CYS  22           HB2      CYS  22   5.129  -1.168  -0.414
    4    HB3  CYS  22           HB3      CYS  22   4.753   0.433  -1.041

  No H/Q in entry =           4
  In of MODEL    7
    1    H    TRP  23           H        TRP  23   6.259  -2.241  -2.496
    2    HA   TRP  23           HA       TRP  23   6.829  -1.113  -5.097
    3    HB2  TRP  23           HB2      TRP  23   7.515   0.700  -3.569
    4    HB3  TRP  23           HB3      TRP  23   8.578  -0.422  -2.725
    5    HD1  TRP  23           HD1      TRP  23   8.154   0.673  -6.439
    6    HE1  TRP  23           HE1      TRP  23  10.506   1.042  -7.418
    7    HE3  TRP  23           HE3      TRP  23  10.943  -0.519  -2.323
    8    HZ2  TRP  23           HZ2      TRP  23  13.188   0.852  -6.559
    9    HZ3  TRP  23           HZ3      TRP  23  13.395  -0.400  -2.486
   10    HH2  TRP  23           HH2      TRP  23  14.493   0.271  -4.561

  No H/Q in entry =          10
  In of MODEL    7
    1    H    ARG  24           H        ARG  24   6.790  -3.396  -5.553
    2    HA   ARG  24           HA       ARG  24   8.601  -5.213  -4.340
    3    HB2  ARG  24           HB2      ARG  24   6.469  -5.742  -5.662
    4    HB3  ARG  24           HB3      ARG  24   7.447  -5.513  -7.106
    5    HG2  ARG  24           HG2      ARG  24   8.628  -7.430  -6.783
    6    HG3  ARG  24           HG3      ARG  24   8.469  -7.365  -5.027
    7    HD2  ARG  24           HD2      ARG  24   5.936  -7.773  -5.544
    8    HD3  ARG  24           HD3      ARG  24   6.554  -8.394  -7.073
    9    HE   ARG  24           HE       ARG  24   7.873  -9.500  -4.776
   10   HH11  ARG  24          HH11      ARG  24   5.111  -9.786  -6.889
   11   HH12  ARG  24          HH12      ARG  24   4.874 -11.469  -6.558
   12   HH21  ARG  24          HH21      ARG  24   7.564 -11.714  -4.340
   13   HH22  ARG  24          HH22      ARG  24   6.267 -12.564  -5.110

  No H/Q in entry =          13
  In of MODEL    7
    1    H    THR  25           H        THR  25  10.664  -5.713  -4.804
    2    HA   THR  25           HA       THR  25  11.884  -5.103  -7.321
    3    HB   THR  25           HB       THR  25  11.926  -2.872  -6.298
    4    HG1  THR  25           HG1      THR  25  13.750  -3.728  -7.554
    5   HG22  THR  25          HG21      THR  25  13.471  -2.499  -4.361
    6   HG21  THR  25          HG22      THR  25  13.405  -4.238  -4.072
    7   HG23  THR  25          HG23      THR  25  11.934  -3.270  -3.971

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  26           H        SER  26  11.496  -7.399  -5.630
    2    HA   SER  26           HA       SER  26  12.676  -9.308  -5.207
    3    HB2  SER  26           HB2      SER  26  14.352  -8.218  -6.914
    4    HB3  SER  26           HB3      SER  26  15.317  -7.922  -5.468
    5    HG   SER  26           HG       SER  26  15.803  -9.936  -6.467

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL  27           H        VAL  27  14.452  -6.513  -3.927
    2    HA   VAL  27           HA       VAL  27  14.966  -7.860  -1.431
    3    HB   VAL  27           HB       VAL  27  15.973  -5.681  -0.742
    4   HG12  VAL  27          HG11      VAL  27  17.084  -6.412  -3.419
    5   HG11  VAL  27          HG12      VAL  27  17.110  -7.580  -2.099
    6   HG13  VAL  27          HG13      VAL  27  17.932  -6.030  -1.920
    7   HG21  VAL  27          HG21      VAL  27  14.456  -4.314  -2.220
    8   HG23  VAL  27          HG22      VAL  27  15.466  -4.809  -3.578
    9   HG22  VAL  27          HG23      VAL  27  16.162  -3.867  -2.260

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  28           H        SER  28  12.720  -5.474  -2.657
    2    HA   SER  28           HA       SER  28  11.547  -5.202   0.026
    3    HB2  SER  28           HB2      SER  28  12.290  -3.148  -1.384
    4    HB3  SER  28           HB3      SER  28  10.822  -3.455  -2.311
    5    HG   SER  28           HG       SER  28  10.427  -1.992  -0.619

  No H/Q in entry =           5
  In of MODEL    7
    1    H    SER  29           H        SER  29   9.343  -5.521   0.347
    2    HA   SER  29           HA       SER  29   7.493  -6.102  -1.700
    3    HB2  SER  29           HB2      SER  29   9.015  -8.391  -0.555
    4    HB3  SER  29           HB3      SER  29   7.284  -8.613  -0.808
    5    HG   SER  29           HG       SER  29   8.752  -9.152  -2.616

  No H/Q in entry =           5
  In of MODEL    7
    1    H    HIS  30           H        HIS  30   6.490  -4.555  -0.257
    2    HA   HIS  30           HA       HIS  30   5.475  -5.729   2.240
    3    HB2  HIS  30           HB2      HIS  30   5.634  -2.843   1.349
    4    HB3  HIS  30           HB3      HIS  30   4.895  -3.381   2.853
    5    HD1  HIS  30           HD1      HIS  30   6.410  -3.052   4.766
    6    HD2  HIS  30           HD2      HIS  30   8.504  -3.958   1.293
    7    HE1  HIS  30           HE1      HIS  30   8.836  -3.051   5.425
    8    HE2  HIS  30           HE2      HIS  30  10.089  -3.517   3.289

  No H/Q in entry =           8
  In of MODEL    7
    1    H    TYR  31           H        TYR  31   3.707  -6.876   1.604
    2    HA   TYR  31           HA       TYR  31   1.825  -5.908  -0.314
    3    HB2  TYR  31           HB2      TYR  31   1.582  -8.159   1.692
    4    HB3  TYR  31           HB3      TYR  31   0.477  -7.865   0.354
    5    HD1  TYR  31           HD1      TYR  31   3.585  -9.365   1.373
    6    HD2  TYR  31           HD2      TYR  31   1.344  -8.072  -2.004
    7    HE1  TYR  31           HE1      TYR  31   4.997 -10.751  -0.087
    8    HE2  TYR  31           HE2      TYR  31   2.749  -9.455  -3.473
    9    HH   TYR  31           HH       TYR  31   4.220 -11.675  -3.058

  No H/Q in entry =           9
  In of MODEL    7
    1    H    CYS  32           H        CYS  32  -0.083  -4.870  -0.028
    2    HA   CYS  32           HA       CYS  32  -0.487  -3.432   2.397
    3    HB2  CYS  32           HB2      CYS  32  -2.205  -3.728  -0.073
    4    HB3  CYS  32           HB3      CYS  32  -2.583  -2.644   1.261

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR  33           H        THR  33  -2.384  -3.487   3.739
    2    HA   THR  33           HA       THR  33  -3.417  -6.217   4.048
    3    HB   THR  33           HB       THR  33  -3.769  -5.744   6.339
    4    HG1  THR  33           HG1      THR  33  -3.228  -3.013   5.812
    5   HG21  THR  33          HG21      THR  33  -1.302  -5.760   5.483
    6   HG23  THR  33          HG22      THR  33  -1.676  -5.345   7.156
    7   HG22  THR  33          HG23      THR  33  -1.339  -4.070   5.985

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  34           H        GLY  34  -4.392  -3.819   2.304
    2    HA3  GLY  34           HA2      GLY  34  -6.403  -2.921   1.646
    3    HA2  GLY  34           HA3      GLY  34  -7.061  -4.471   2.148

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ARG  35           H        ARG  35  -5.524  -2.384   4.466
    2    HA   ARG  35           HA       ARG  35  -8.176  -1.746   5.583
    3    HB2  ARG  35           HB2      ARG  35  -6.380  -3.337   6.787
    4    HB3  ARG  35           HB3      ARG  35  -5.810  -1.780   7.373
    5    HG2  ARG  35           HG2      ARG  35  -7.277  -2.324   9.028
    6    HG3  ARG  35           HG3      ARG  35  -8.351  -1.433   7.947
    7    HD2  ARG  35           HD2      ARG  35  -9.320  -3.561   8.775
    8    HD3  ARG  35           HD3      ARG  35  -9.203  -3.476   7.017
    9    HE   ARG  35           HE       ARG  35  -7.754  -5.242   7.068
   10   HH11  ARG  35          HH11      ARG  35  -7.972  -3.885  10.276
   11   HH12  ARG  35          HH12      ARG  35  -7.043  -5.149  11.009
   12   HH21  ARG  35          HH21      ARG  35  -6.532  -6.906   8.031
   13   HH22  ARG  35          HH22      ARG  35  -6.225  -6.864   9.735

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  36           H        SER  36  -4.884  -0.618   5.062
    2    HA   SER  36           HA       SER  36  -5.860   2.136   5.188
    3    HB2  SER  36           HB2      SER  36  -3.785   0.924   6.951
    4    HB3  SER  36           HB3      SER  36  -3.500   2.562   6.362
    5    HG   SER  36           HG       SER  36  -4.851   3.200   7.823

  No H/Q in entry =           5
  In of MODEL    7
    1    H    CYS  37           H        CYS  37  -4.022   3.668   4.449
    2    HA   CYS  37           HA       CYS  37  -2.840   2.469   2.046
    3    HB2  CYS  37           HB2      CYS  37  -4.122   5.008   2.620
    4    HB3  CYS  37           HB3      CYS  37  -2.546   5.241   1.872

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU  38           H        GLU  38  -1.790   2.623   4.950
    2    HA   GLU  38           HA       GLU  38   0.796   3.888   4.332
    3    HB2  GLU  38           HB2      GLU  38  -0.722   4.527   6.406
    4    HB3  GLU  38           HB3      GLU  38   0.043   3.112   7.115
    5    HG2  GLU  38           HG2      GLU  38   1.387   4.873   7.798
    6    HG3  GLU  38           HG3      GLU  38   2.255   4.194   6.421

  No H/Q in entry =           6
  In of MODEL    7
    1    H    CYS  39           H        CYS  39   2.153   2.393   3.570
    2    HA   CYS  39           HA       CYS  39   2.009  -0.360   4.011
    3    HB2  CYS  39           HB2      CYS  39   3.546   1.320   2.444
    4    HB3  CYS  39           HB3      CYS  39   4.727   0.610   3.540

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   PRO  40           HA       PRO  40   3.523  -1.169   8.067
    2    HB2  PRO  40           HB2      PRO  40   5.285  -3.195   6.773
    3    HB3  PRO  40           HB3      PRO  40   4.154  -3.382   8.118
    4    HG2  PRO  40           HG2      PRO  40   3.534  -4.286   5.693
    5    HG3  PRO  40           HG3      PRO  40   2.307  -3.519   6.719
    6    HD2  PRO  40           HD2      PRO  40   3.750  -2.425   4.347
    7    HD3  PRO  40           HD3      PRO  40   2.074  -2.162   4.870

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  41           H        SER  41   5.696  -1.555   9.235
    2    HA   SER  41           HA       SER  41   7.624   0.373   8.148
    3    HB2  SER  41           HB2      SER  41   6.695   0.905  10.364
    4    HB3  SER  41           HB3      SER  41   7.287  -0.637  10.983
    5    HG   SER  41           HG       SER  41   9.382   0.067  10.672

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  42           H        TYR  42   7.284  -2.913   9.290
    2    HA   TYR  42           HA       TYR  42  10.149  -3.397   8.927
    3    HB2  TYR  42           HB2      TYR  42   9.549  -5.684   9.870
    4    HB3  TYR  42           HB3      TYR  42   9.363  -4.319  10.965
    5    HD1  TYR  42           HD1      TYR  42   7.263  -3.808  11.924
    6    HD2  TYR  42           HD2      TYR  42   7.504  -6.655   8.772
    7    HE1  TYR  42           HE1      TYR  42   4.928  -4.455  12.338
    8    HE2  TYR  42           HE2      TYR  42   5.169  -7.309   9.177
    9    HH   TYR  42           HH       TYR  42   3.100  -6.217  10.195

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   PRO  43           HA       PRO  43  10.016  -5.453   5.046
    2    HB2  PRO  43           HB2      PRO  43  10.987  -7.929   6.393
    3    HB3  PRO  43           HB3      PRO  43  11.643  -7.081   4.988
    4    HG2  PRO  43           HG2      PRO  43  12.832  -6.889   7.360
    5    HG3  PRO  43           HG3      PRO  43  12.714  -5.484   6.285
    6    HD2  PRO  43           HD2      PRO  43  11.159  -6.122   8.751
    7    HD3  PRO  43           HD3      PRO  43  11.714  -4.550   8.140

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  44           H        GLY  44   8.612  -6.660   3.841
    2    HA3  GLY  44           HA2      GLY  44   6.203  -7.524   4.981
    3    HA2  GLY  44           HA3      GLY  44   6.745  -7.900   3.352

  No H/Q in entry =           3
  In of MODEL    8
    1    H1   ALA   1           H3       ALA   1 -13.058  13.787  -2.224
    2    H2   ALA   1           H2       ALA   1 -13.353  12.712  -3.528
    3    H3   ALA   1           H1       ALA   1 -13.512  14.405  -3.756
    4    HA   ALA   1           HA       ALA   1 -15.423  14.540  -2.581
    5    HB2  ALA   1           HB1      ALA   1 -16.843  12.634  -3.422
    6    HB3  ALA   1           HB2      ALA   1 -15.363  11.927  -4.069
    7    HB1  ALA   1           HB3      ALA   1 -15.915  13.498  -4.649

  No H/Q in entry =           7
  In of MODEL    8
    1    H    MET   2           H        MET   2 -14.865  14.478  -0.352
    2    HA   MET   2           HA       MET   2 -15.033  13.715   1.784
    3    HB2  MET   2           HB2      MET   2 -17.322  13.071   0.849
    4    HB3  MET   2           HB3      MET   2 -16.685  11.439   0.702
    5    HG2  MET   2           HG2      MET   2 -16.314  11.322   3.078
    6    HG3  MET   2           HG3      MET   2 -16.805  13.003   3.269
    7    HE2  MET   2           HE1      MET   2 -20.439  12.949   2.102
    8    HE1  MET   2           HE2      MET   2 -18.900  13.809   2.129
    9    HE3  MET   2           HE3      MET   2 -19.790  13.548   3.629

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP   3           H        ASP   3 -12.817  13.181   1.883
    2    HA   ASP   3           HA       ASP   3 -11.036  11.832   2.306
    3    HB2  ASP   3           HB2      ASP   3 -12.952  10.772   3.757
    4    HB3  ASP   3           HB3      ASP   3 -12.845   9.460   2.586

  No H/Q in entry =           4
  In of MODEL    8
    1    H    CYS   4           H        CYS   4  -9.778   9.975   1.481
    2    HA   CYS   4           HA       CYS   4 -10.588   8.400  -0.682
    3    HB2  CYS   4           HB2      CYS   4 -10.211   9.600  -2.554
    4    HB3  CYS   4           HB3      CYS   4 -10.358  10.998  -1.503

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR   5           H        THR   5  -7.926  10.136   0.830
    2    HA   THR   5           HA       THR   5  -5.871   9.457   1.532
    3    HB   THR   5           HB       THR   5  -6.309   6.595   0.916
    4    HG1  THR   5           HG1      THR   5  -7.855   7.903   2.897
    5   HG23  THR   5          HG21      THR   5  -5.186   6.196   2.836
    6   HG22  THR   5          HG22      THR   5  -5.856   7.607   3.656
    7   HG21  THR   5          HG23      THR   5  -4.550   7.803   2.486

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR   6           H        THR   6  -4.332  10.113   0.181
    2    HA   THR   6           HA       THR   6  -3.931   8.603  -2.318
    3    HB   THR   6           HB       THR   6  -2.651  11.236  -2.166
    4    HG1  THR   6           HG1      THR   6  -5.456  10.992  -1.948
    5   HG22  THR   6          HG21      THR   6  -4.695  10.434  -4.180
    6   HG21  THR   6          HG22      THR   6  -3.090   9.704  -4.207
    7   HG23  THR   6          HG23      THR   6  -3.266  11.451  -4.367

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY   7           H        GLY   7  -2.062   7.560  -2.584
    2    HA3  GLY   7           HA2      GLY   7   0.457   8.408  -1.741
    3    HA2  GLY   7           HA3      GLY   7  -0.181   7.363  -0.481

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO   8           HA       PRO   8   1.938   4.732  -3.700
    2    HB2  PRO   8           HB2      PRO   8   3.503   3.345  -1.980
    3    HB3  PRO   8           HB3      PRO   8   3.985   4.902  -2.664
    4    HG2  PRO   8           HG2      PRO   8   2.813   4.294   0.024
    5    HG3  PRO   8           HG3      PRO   8   4.149   5.383  -0.393
    6    HD2  PRO   8           HD2      PRO   8   1.630   6.268   0.088
    7    HD3  PRO   8           HD3      PRO   8   2.731   7.076  -1.046

  No H/Q in entry =           7
  In of MODEL    8
    1    H    CYS   9           H        CYS   9   0.410   4.071  -0.618
    2    HA   CYS   9           HA       CYS   9  -0.184   1.323  -1.438
    3    HB2  CYS   9           HB2      CYS   9   0.716   1.759   0.849
    4    HB3  CYS   9           HB3      CYS   9  -0.747   2.667   1.211

  No H/Q in entry =           4
  In of MODEL    8
    1    H    CYS  10           H        CYS  10  -1.500   4.102  -2.204
    2    HA   CYS  10           HA       CYS  10  -4.271   3.189  -1.794
    3    HB2  CYS  10           HB2      CYS  10  -3.167   5.986  -2.070
    4    HB3  CYS  10           HB3      CYS  10  -4.885   5.613  -2.159

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ARG  11           H        ARG  11  -5.662   3.145  -3.530
    2    HA   ARG  11           HA       ARG  11  -4.373   3.221  -6.153
    3    HB2  ARG  11           HB2      ARG  11  -5.735   1.229  -5.318
    4    HB3  ARG  11           HB3      ARG  11  -7.157   2.238  -5.542
    5    HG2  ARG  11           HG2      ARG  11  -6.772   2.393  -7.887
    6    HG3  ARG  11           HG3      ARG  11  -5.190   1.625  -7.733
    7    HD2  ARG  11           HD2      ARG  11  -6.209  -0.455  -7.080
    8    HD3  ARG  11           HD3      ARG  11  -7.804   0.295  -7.037
    9    HE   ARG  11           HE       ARG  11  -7.946   0.015  -9.297
   10   HH11  ARG  11          HH11      ARG  11  -4.596  -0.255  -8.358
   11   HH12  ARG  11          HH12      ARG  11  -4.063  -0.734  -9.934
   12   HH21  ARG  11          HH21      ARG  11  -7.247  -0.616 -11.371
   13   HH22  ARG  11          HH22      ARG  11  -5.567  -0.939 -11.645

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  12           H        GLN  12  -4.351   5.309  -6.826
    2    HA   GLN  12           HA       GLN  12  -5.143   7.212  -7.792
    3    HB2  GLN  12           HB2      GLN  12  -7.011   5.384  -8.479
    4    HB3  GLN  12           HB3      GLN  12  -8.001   6.498  -7.545
    5    HG2  GLN  12           HG2      GLN  12  -7.681   8.236  -9.025
    6    HG3  GLN  12           HG3      GLN  12  -6.195   7.546  -9.676
    7   HE21  GLN  12          HE21      GLN  12  -6.323   5.884 -11.198
    8   HE22  GLN  12          HE22      GLN  12  -7.772   5.571 -12.086

  No H/Q in entry =           8
  In of MODEL    8
    1    H    CYS  13           H        CYS  13  -7.770   6.330  -5.574
    2    HA   CYS  13           HA       CYS  13  -7.024   8.359  -3.682
    3    HB2  CYS  13           HB2      CYS  13  -8.758   9.088  -5.799
    4    HB3  CYS  13           HB3      CYS  13  -9.750   8.969  -4.351

  No H/Q in entry =           4
  In of MODEL    8
    1    H    LYS  14           H        LYS  14  -7.380   5.549  -3.575
    2    HA   LYS  14           HA       LYS  14  -9.301   5.418  -1.409
    3    HB2  LYS  14           HB2      LYS  14 -10.588   4.861  -3.486
    4    HB3  LYS  14           HB3      LYS  14  -9.515   3.488  -3.724
    5    HG2  LYS  14           HG2      LYS  14 -10.468   2.277  -2.064
    6    HG3  LYS  14           HG3      LYS  14 -10.854   3.700  -1.095
    7    HD2  LYS  14           HD2      LYS  14 -12.802   4.134  -2.278
    8    HD3  LYS  14           HD3      LYS  14 -12.270   3.212  -3.686
    9    HE2  LYS  14           HE2      LYS  14 -12.686   1.805  -1.088
   10    HE3  LYS  14           HE3      LYS  14 -14.088   2.249  -2.059
   11    HZ3  LYS  14           HZ1      LYS  14 -13.446   0.059  -2.657
   12    HZ2  LYS  14           HZ2      LYS  14 -11.828   0.505  -2.865
   13    HZ1  LYS  14           HZ3      LYS  14 -13.004   1.067  -3.943

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  15           H        LEU  15  -8.877   3.779   0.062
    2    HA   LEU  15           HA       LEU  15  -6.236   2.918   0.303
    3    HB2  LEU  15           HB2      LEU  15  -8.599   2.782   1.831
    4    HB3  LEU  15           HB3      LEU  15  -8.020   1.133   1.689
    5    HG   LEU  15           HG       LEU  15  -6.036   3.208   2.458
    6   HD11  LEU  15          HD11      LEU  15  -8.392   3.301   3.770
    7   HD13  LEU  15          HD12      LEU  15  -6.833   3.658   4.513
    8   HD12  LEU  15          HD13      LEU  15  -7.553   2.059   4.701
    9   HD23  LEU  15          HD21      LEU  15  -6.326   0.647   3.887
   10   HD22  LEU  15          HD22      LEU  15  -4.882   1.449   3.270
   11   HD21  LEU  15          HD23      LEU  15  -5.918   0.534   2.175

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  16           H        LYS  16  -5.138   1.392  -0.723
    2    HA   LYS  16           HA       LYS  16  -6.202  -0.274  -2.684
    3    HB2  LYS  16           HB2      LYS  16  -3.628  -0.372  -1.128
    4    HB3  LYS  16           HB3      LYS  16  -4.004  -1.568  -2.360
    5    HG2  LYS  16           HG2      LYS  16  -4.218   0.228  -4.020
    6    HG3  LYS  16           HG3      LYS  16  -3.789   1.406  -2.778
    7    HD2  LYS  16           HD2      LYS  16  -1.615   0.371  -2.503
    8    HD3  LYS  16           HD3      LYS  16  -2.044  -0.894  -3.656
    9    HE2  LYS  16           HE2      LYS  16  -2.526   1.312  -5.139
   10    HE3  LYS  16           HE3      LYS  16  -1.213   1.895  -4.116
   11    HZ1  LYS  16           HZ1      LYS  16  -0.138  -0.361  -4.813
   12    HZ3  LYS  16           HZ2      LYS  16  -0.055   0.980  -5.841
   13    HZ2  LYS  16           HZ3      LYS  16  -1.193  -0.237  -6.130

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   PRO  17           HA       PRO  17  -7.938  -3.747  -0.607
    2    HB2  PRO  17           HB2      PRO  17  -7.151  -5.819  -2.198
    3    HB3  PRO  17           HB3      PRO  17  -8.433  -4.685  -2.639
    4    HG2  PRO  17           HG2      PRO  17  -5.562  -4.723  -3.484
    5    HG3  PRO  17           HG3      PRO  17  -7.012  -4.406  -4.456
    6    HD2  PRO  17           HD2      PRO  17  -5.423  -2.419  -3.555
    7    HD3  PRO  17           HD3      PRO  17  -7.180  -2.222  -3.722

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  18           H        ALA  18  -7.454  -5.251   0.932
    2    HA   ALA  18           HA       ALA  18  -4.842  -5.298   2.003
    3    HB1  ALA  18           HB1      ALA  18  -6.847  -5.585   3.377
    4    HB2  ALA  18           HB2      ALA  18  -5.718  -6.923   3.594
    5    HB3  ALA  18           HB3      ALA  18  -7.158  -7.136   2.599

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  19           H        GLY  19  -3.147  -6.344   1.209
    2    HA3  GLY  19           HA2      GLY  19  -2.148  -8.564   0.905
    3    HA2  GLY  19           HA3      GLY  19  -3.593  -9.009   0.011

  No H/Q in entry =           3
  In of MODEL    8
    1    H    THR  20           H        THR  20  -2.262  -5.859  -0.496
    2    HA   THR  20           HA       THR  20  -1.441  -6.686  -3.187
    3    HB   THR  20           HB       THR  20  -1.717  -3.835  -2.280
    4    HG1  THR  20           HG1      THR  20  -3.784  -5.610  -3.039
    5   HG22  THR  20          HG21      THR  20  -2.609  -3.667  -4.674
    6   HG21  THR  20          HG22      THR  20  -1.868  -5.250  -4.909
    7   HG23  THR  20          HG23      THR  20  -0.873  -3.871  -4.439

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR  21           H        THR  21   0.426  -5.354  -4.106
    2    HA   THR  21           HA       THR  21   2.665  -5.644  -2.286
    3    HB   THR  21           HB       THR  21   3.691  -4.682  -4.667
    4    HG1  THR  21           HG1      THR  21   1.942  -4.811  -5.902
    5   HG23  THR  21          HG21      THR  21   4.796  -6.515  -3.911
    6   HG22  THR  21          HG22      THR  21   3.849  -7.249  -5.205
    7   HG21  THR  21          HG23      THR  21   3.315  -7.393  -3.530

  No H/Q in entry =           7
  In of MODEL    8
    1    H    CYS  22           H        CYS  22   4.435  -3.921  -2.462
    2    HA   CYS  22           HA       CYS  22   3.458  -1.213  -2.807
    3    HB2  CYS  22           HB2      CYS  22   2.789  -1.722  -0.504
    4    HB3  CYS  22           HB3      CYS  22   4.438  -2.200  -0.120

  No H/Q in entry =           4
  In of MODEL    8
    1    H    TRP  23           H        TRP  23   6.118  -3.246  -1.619
    2    HA   TRP  23           HA       TRP  23   7.977  -1.531  -3.118
    3    HB2  TRP  23           HB2      TRP  23   7.900  -1.435  -0.434
    4    HB3  TRP  23           HB3      TRP  23   8.988  -2.805  -0.634
    5    HD1  TRP  23           HD1      TRP  23   8.730   0.816  -2.035
    6    HE1  TRP  23           HE1      TRP  23  11.116   1.768  -2.187
    7    HE3  TRP  23           HE3      TRP  23  11.343  -3.278  -0.438
    8    HZ2  TRP  23           HZ2      TRP  23  13.757   0.899  -1.696
    9    HZ3  TRP  23           HZ3      TRP  23  13.796  -3.135  -0.309
   10    HH2  TRP  23           HH2      TRP  23  14.977  -1.089  -0.926

  No H/Q in entry =          10
  In of MODEL    8
    1    H    ARG  24           H        ARG  24   8.113  -2.982  -4.816
    2    HA   ARG  24           HA       ARG  24   8.925  -5.727  -4.242
    3    HB2  ARG  24           HB2      ARG  24   8.152  -4.335  -6.809
    4    HB3  ARG  24           HB3      ARG  24   8.694  -6.006  -6.733
    5    HG2  ARG  24           HG2      ARG  24   6.784  -6.709  -5.617
    6    HG3  ARG  24           HG3      ARG  24   6.377  -5.076  -5.085
    7    HD2  ARG  24           HD2      ARG  24   4.878  -5.257  -6.780
    8    HD3  ARG  24           HD3      ARG  24   6.257  -4.681  -7.715
    9    HE   ARG  24           HE       ARG  24   6.284  -7.501  -7.592
   10   HH11  ARG  24          HH11      ARG  24   4.559  -4.863  -9.090
   11   HH12  ARG  24          HH12      ARG  24   4.095  -5.789 -10.477
   12   HH21  ARG  24          HH21      ARG  24   5.675  -8.721  -9.417
   13   HH22  ARG  24          HH22      ARG  24   4.728  -7.979 -10.663

  No H/Q in entry =          13
  In of MODEL    8
    1    H    THR  25           H        THR  25  10.918  -6.528  -4.615
    2    HA   THR  25           HA       THR  25  12.823  -5.326  -6.344
    3    HB   THR  25           HB       THR  25  14.422  -4.968  -4.234
    4    HG1  THR  25           HG1      THR  25  11.873  -4.205  -3.259
    5   HG21  THR  25          HG21      THR  25  13.347  -3.290  -6.042
    6   HG23  THR  25          HG22      THR  25  14.383  -2.780  -4.708
    7   HG22  THR  25          HG23      THR  25  12.630  -2.667  -4.556

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  26           H        SER  26  15.160  -6.254  -5.574
    2    HA   SER  26           HA       SER  26  14.714  -9.141  -5.367
    3    HB2  SER  26           HB2      SER  26  17.240  -7.671  -6.156
    4    HB3  SER  26           HB3      SER  26  16.931  -9.399  -6.318
    5    HG   SER  26           HG       SER  26  16.558  -8.428  -8.292

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL  27           H        VAL  27  14.507  -7.541  -3.012
    2    HA   VAL  27           HA       VAL  27  16.474  -8.910  -1.381
    3    HB   VAL  27           HB       VAL  27  16.194  -5.917  -1.130
    4   HG11  VAL  27          HG11      VAL  27  17.880  -7.986   0.249
    5   HG13  VAL  27          HG12      VAL  27  16.772  -6.815   0.963
    6   HG12  VAL  27          HG13      VAL  27  18.296  -6.272   0.263
    7   HG22  VAL  27          HG21      VAL  27  17.336  -6.302  -3.185
    8   HG21  VAL  27          HG22      VAL  27  18.342  -7.557  -2.461
    9   HG23  VAL  27          HG23      VAL  27  18.553  -5.872  -1.983

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  28           H        SER  28  13.825  -6.564  -1.434
    2    HA   SER  28           HA       SER  28  12.638  -7.968   0.859
    3    HB2  SER  28           HB2      SER  28  13.030  -5.003   0.504
    4    HB3  SER  28           HB3      SER  28  11.754  -5.639   1.543
    5    HG   SER  28           HG       SER  28  13.313  -5.656   2.966

  No H/Q in entry =           5
  In of MODEL    8
    1    H    SER  29           H        SER  29  10.266  -7.336   1.116
    2    HA   SER  29           HA       SER  29   8.939  -6.563  -1.345
    3    HB2  SER  29           HB2      SER  29   9.428  -9.129  -1.317
    4    HB3  SER  29           HB3      SER  29   8.108  -9.190  -0.150
    5    HG   SER  29           HG       SER  29   7.683  -9.378  -2.568

  No H/Q in entry =           5
  In of MODEL    8
    1    H    HIS  30           H        HIS  30   7.979  -4.869  -0.292
    2    HA   HIS  30           HA       HIS  30   6.610  -5.242   2.218
    3    HB2  HIS  30           HB2      HIS  30   6.754  -2.884   0.330
    4    HB3  HIS  30           HB3      HIS  30   5.932  -2.855   1.887
    5    HD1  HIS  30           HD1      HIS  30   7.350  -1.521   3.409
    6    HD2  HIS  30           HD2      HIS  30   9.608  -4.089   1.049
    7    HE1  HIS  30           HE1      HIS  30   9.722  -1.247   4.198
    8    HE2  HIS  30           HE2      HIS  30  11.081  -2.747   2.697

  No H/Q in entry =           8
  In of MODEL    8
    1    H    TYR  31           H        TYR  31   4.452  -5.433   2.570
    2    HA   TYR  31           HA       TYR  31   2.714  -5.549   0.193
    3    HB2  TYR  31           HB2      TYR  31   2.934  -7.405   2.537
    4    HB3  TYR  31           HB3      TYR  31   1.394  -7.235   1.702
    5    HD1  TYR  31           HD1      TYR  31   4.845  -8.436   1.435
    6    HD2  TYR  31           HD2      TYR  31   1.106  -8.063  -0.561
    7    HE1  TYR  31           HE1      TYR  31   5.594 -10.053  -0.260
    8    HE2  TYR  31           HE2      TYR  31   1.845  -9.680  -2.260
    9    HH   TYR  31           HH       TYR  31   4.006 -10.517  -3.188

  No H/Q in entry =           9
  In of MODEL    8
    1    H    CYS  32           H        CYS  32   0.598  -4.796   0.410
    2    HA   CYS  32           HA       CYS  32   0.240  -2.879   2.577
    3    HB2  CYS  32           HB2      CYS  32  -0.949  -3.259  -0.135
    4    HB3  CYS  32           HB3      CYS  32  -1.892  -2.399   1.077

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR  33           H        THR  33  -1.230  -3.069   4.167
    2    HA   THR  33           HA       THR  33  -2.711  -5.573   4.333
    3    HB   THR  33           HB       THR  33  -1.493  -5.072   6.305
    4    HG1  THR  33           HG1      THR  33  -4.140  -4.228   6.850
    5   HG22  THR  33          HG21      THR  33  -2.075  -2.950   7.613
    6   HG21  THR  33          HG22      THR  33  -2.639  -2.322   6.065
    7   HG23  THR  33          HG23      THR  33  -0.957  -2.817   6.255

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  34           H        GLY  34  -3.413  -2.940   2.760
    2    HA3  GLY  34           HA2      GLY  34  -5.314  -1.762   2.229
    3    HA2  GLY  34           HA3      GLY  34  -6.142  -3.257   2.632

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ARG  35           H        ARG  35  -4.317  -1.528   5.040
    2    HA   ARG  35           HA       ARG  35  -6.832  -0.926   6.427
    3    HB2  ARG  35           HB2      ARG  35  -4.728  -2.282   7.378
    4    HB3  ARG  35           HB3      ARG  35  -4.220  -0.657   7.815
    5    HG2  ARG  35           HG2      ARG  35  -6.353  -0.345   9.013
    6    HG3  ARG  35           HG3      ARG  35  -6.778  -2.015   8.634
    7    HD2  ARG  35           HD2      ARG  35  -4.406  -2.471   9.724
    8    HD3  ARG  35           HD3      ARG  35  -4.760  -0.946  10.535
    9    HE   ARG  35           HE       ARG  35  -6.012  -3.489  10.999
   10   HH11  ARG  35          HH11      ARG  35  -6.401  -0.029  11.238
   11   HH12  ARG  35          HH12      ARG  35  -7.583  -0.124  12.499
   12   HH21  ARG  35          HH21      ARG  35  -7.568  -3.615  12.657
   13   HH22  ARG  35          HH22      ARG  35  -8.246  -2.159  13.305

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  36           H        SER  36  -3.842   0.515   5.288
    2    HA   SER  36           HA       SER  36  -5.050   3.118   5.236
    3    HB2  SER  36           HB2      SER  36  -2.777   2.567   7.156
    4    HB3  SER  36           HB3      SER  36  -3.280   4.184   6.663
    5    HG   SER  36           HG       SER  36  -4.463   3.884   8.429

  No H/Q in entry =           5
  In of MODEL    8
    1    H    CYS  37           H        CYS  37  -3.449   4.785   4.419
    2    HA   CYS  37           HA       CYS  37  -2.136   3.720   2.124
    3    HB2  CYS  37           HB2      CYS  37  -3.185   6.169   2.792
    4    HB3  CYS  37           HB3      CYS  37  -1.454   6.481   2.848

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU  38           H        GLU  38  -1.112   4.704   5.306
    2    HA   GLU  38           HA       GLU  38   1.616   5.093   4.863
    3    HB2  GLU  38           HB2      GLU  38   0.037   5.274   7.029
    4    HB3  GLU  38           HB3      GLU  38   0.810   3.733   7.374
    5    HG2  GLU  38           HG2      GLU  38   2.251   6.315   6.816
    6    HG3  GLU  38           HG3      GLU  38   1.972   5.621   8.412

  No H/Q in entry =           6
  In of MODEL    8
    1    H    CYS  39           H        CYS  39   2.415   3.579   3.407
    2    HA   CYS  39           HA       CYS  39   2.127   0.807   3.577
    3    HB2  CYS  39           HB2      CYS  39   2.984   1.991   1.587
    4    HB3  CYS  39           HB3      CYS  39   4.468   2.361   2.457

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   PRO  40           HA       PRO  40   4.618   0.308   7.322
    2    HB2  PRO  40           HB2      PRO  40   4.049  -2.323   7.678
    3    HB3  PRO  40           HB3      PRO  40   2.941  -1.029   8.149
    4    HG2  PRO  40           HG2      PRO  40   2.921  -2.739   5.692
    5    HG3  PRO  40           HG3      PRO  40   1.565  -2.249   6.725
    6    HD2  PRO  40           HD2      PRO  40   2.108  -1.033   4.371
    7    HD3  PRO  40           HD3      PRO  40   1.414  -0.163   5.754

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  41           H        SER  41   6.356  -1.252   7.963
    2    HA   SER  41           HA       SER  41   7.820  -2.183   5.582
    3    HB2  SER  41           HB2      SER  41   8.980  -0.321   6.594
    4    HB3  SER  41           HB3      SER  41   8.879  -1.069   8.188
    5    HG   SER  41           HG       SER  41  10.722  -1.933   7.700

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  42           H        TYR  42   6.452  -4.155   6.010
    2    HA   TYR  42           HA       TYR  42   7.714  -5.857   8.059
    3    HB2  TYR  42           HB2      TYR  42   4.916  -5.841   6.944
    4    HB3  TYR  42           HB3      TYR  42   5.571  -7.248   7.775
    5    HD1  TYR  42           HD1      TYR  42   3.430  -4.706   8.286
    6    HD2  TYR  42           HD2      TYR  42   6.969  -6.287  10.039
    7    HE1  TYR  42           HE1      TYR  42   2.795  -3.716  10.445
    8    HE2  TYR  42           HE2      TYR  42   6.344  -5.302  12.204
    9    HH   TYR  42           HH       TYR  42   4.875  -3.306  12.963

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   PRO  43           HA       PRO  43   9.331  -7.458   4.029
    2    HB2  PRO  43           HB2      PRO  43  11.033  -8.824   6.060
    3    HB3  PRO  43           HB3      PRO  43  11.498  -8.039   4.546
    4    HG2  PRO  43           HG2      PRO  43  11.944  -6.846   6.882
    5    HG3  PRO  43           HG3      PRO  43  11.416  -5.912   5.469
    6    HD2  PRO  43           HD2      PRO  43   9.860  -6.771   7.866
    7    HD3  PRO  43           HD3      PRO  43   9.739  -5.276   6.916

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  44           H        GLY  44   7.957  -8.948   3.246
    2    HA3  GLY  44           HA2      GLY  44   7.501 -11.266   2.907
    3    HA2  GLY  44           HA3      GLY  44   7.864 -11.553   4.602

  No H/Q in entry =           3
  In of MODEL    9
    1    H1   ALA   1           H2       ALA   1 -11.225  11.685   7.382
    2    H2   ALA   1           H1       ALA   1  -9.796  10.735   7.416
    3    H3   ALA   1           H3       ALA   1 -10.590  11.139   8.880
    4    HA   ALA   1           HA       ALA   1  -9.934  13.285   8.826
    5    HB3  ALA   1           HB1      ALA   1  -7.697  13.070   9.024
    6    HB2  ALA   1           HB2      ALA   1  -7.517  12.331   7.432
    7    HB1  ALA   1           HB3      ALA   1  -8.061  11.359   8.800

  No H/Q in entry =           7
  In of MODEL    9
    1    H    MET   2           H        MET   2  -9.143  11.880   5.649
    2    HA   MET   2           HA       MET   2  -9.874  14.452   4.430
    3    HB2  MET   2           HB2      MET   2  -7.348  12.900   4.117
    4    HB3  MET   2           HB3      MET   2  -7.993  13.721   2.703
    5    HG2  MET   2           HG2      MET   2  -7.569  15.790   3.531
    6    HG3  MET   2           HG3      MET   2  -7.780  15.285   5.207
    7    HE2  MET   2           HE1      MET   2  -4.677  15.877   6.427
    8    HE1  MET   2           HE2      MET   2  -6.193  16.638   5.943
    9    HE3  MET   2           HE3      MET   2  -4.700  17.026   5.089

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP   3           H        ASP   3  -9.960  14.091   1.908
    2    HA   ASP   3           HA       ASP   3 -11.793  11.853   1.515
    3    HB2  ASP   3           HB2      ASP   3 -11.208  14.316  -0.136
    4    HB3  ASP   3           HB3      ASP   3 -12.304  13.038  -0.654

  No H/Q in entry =           4
  In of MODEL    9
    1    H    CYS   4           H        CYS   4 -11.041  10.020   0.704
    2    HA   CYS   4           HA       CYS   4  -9.850   8.514  -0.514
    3    HB2  CYS   4           HB2      CYS   4  -9.929  10.917  -2.240
    4    HB3  CYS   4           HB3      CYS   4  -8.702   9.721  -2.644

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR   5           H        THR   5  -8.057   7.701   0.322
    2    HA   THR   5           HA       THR   5  -5.927   9.336   1.288
    3    HB   THR   5           HB       THR   5  -6.553   7.215   2.368
    4    HG1  THR   5           HG1      THR   5  -3.926   7.071   1.321
    5   HG23  THR   5          HG21      THR   5  -7.131   5.747   0.634
    6   HG22  THR   5          HG22      THR   5  -5.644   5.100   1.329
    7   HG21  THR   5          HG23      THR   5  -5.592   5.990  -0.193

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR   6           H        THR   6  -3.646   9.027   0.664
    2    HA   THR   6           HA       THR   6  -3.361   8.520  -2.225
    3    HB   THR   6           HB       THR   6  -1.520  10.279  -2.121
    4    HG1  THR   6           HG1      THR   6  -2.858  10.919   0.296
    5   HG21  THR   6          HG21      THR   6  -4.396  11.028  -1.738
    6   HG23  THR   6          HG22      THR   6  -3.465  10.956  -3.234
    7   HG22  THR   6          HG23      THR   6  -3.137  12.222  -2.052

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY   7           H        GLY   7  -1.271   7.781  -2.927
    2    HA3  GLY   7           HA2      GLY   7   1.029   7.222  -1.877
    3    HA2  GLY   7           HA3      GLY   7   0.058   6.186  -0.843

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO   8           HA       PRO   8   1.235   3.880  -4.750
    2    HB2  PRO   8           HB2      PRO   8   2.999   2.129  -3.751
    3    HB3  PRO   8           HB3      PRO   8   3.479   3.768  -4.206
    4    HG2  PRO   8           HG2      PRO   8   2.889   2.651  -1.494
    5    HG3  PRO   8           HG3      PRO   8   4.192   3.744  -1.994
    6    HD2  PRO   8           HD2      PRO   8   1.873   4.568  -0.772
    7    HD3  PRO   8           HD3      PRO   8   2.859   5.596  -1.830

  No H/Q in entry =           7
  In of MODEL    9
    1    H    CYS   9           H        CYS   9   0.113   3.046  -1.592
    2    HA   CYS   9           HA       CYS   9  -0.660   0.356  -2.413
    3    HB2  CYS   9           HB2      CYS   9   0.330   0.772  -0.160
    4    HB3  CYS   9           HB3      CYS   9  -1.094   1.718   0.248

  No H/Q in entry =           4
  In of MODEL    9
    1    H    CYS  10           H        CYS  10  -1.907   2.995  -3.373
    2    HA   CYS  10           HA       CYS  10  -4.669   2.088  -3.045
    3    HB2  CYS  10           HB2      CYS  10  -5.249   4.648  -3.015
    4    HB3  CYS  10           HB3      CYS  10  -4.821   3.821  -1.524

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ARG  11           H        ARG  11  -6.138   3.177  -4.661
    2    HA   ARG  11           HA       ARG  11  -4.781   3.194  -7.241
    3    HB2  ARG  11           HB2      ARG  11  -7.064   1.987  -6.479
    4    HB3  ARG  11           HB3      ARG  11  -7.726   3.495  -7.093
    5    HG2  ARG  11           HG2      ARG  11  -5.776   1.957  -8.745
    6    HG3  ARG  11           HG3      ARG  11  -7.464   1.448  -8.668
    7    HD2  ARG  11           HD2      ARG  11  -7.654   2.873 -10.416
    8    HD3  ARG  11           HD3      ARG  11  -7.824   4.058  -9.122
    9    HE   ARG  11           HE       ARG  11  -5.151   3.981  -9.562
   10   HH11  ARG  11          HH11      ARG  11  -7.914   4.461 -11.638
   11   HH12  ARG  11          HH12      ARG  11  -7.059   5.475 -12.751
   12   HH21  ARG  11          HH21      ARG  11  -4.024   5.314 -11.025
   13   HH22  ARG  11          HH22      ARG  11  -4.850   5.959 -12.404

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  12           H        GLN  12  -4.156   5.442  -5.836
    2    HA   GLN  12           HA       GLN  12  -3.980   7.694  -6.128
    3    HB2  GLN  12           HB2      GLN  12  -5.939   7.429  -8.403
    4    HB3  GLN  12           HB3      GLN  12  -4.770   8.715  -8.140
    5    HG2  GLN  12           HG2      GLN  12  -4.173   5.855  -8.856
    6    HG3  GLN  12           HG3      GLN  12  -4.001   7.269  -9.896
    7   HE21  GLN  12          HE21      GLN  12  -2.710   9.071  -8.499
    8   HE22  GLN  12          HE22      GLN  12  -1.174   8.498  -7.952

  No H/Q in entry =           8
  In of MODEL    9
    1    H    CYS  13           H        CYS  13  -6.539   6.188  -4.948
    2    HA   CYS  13           HA       CYS  13  -7.758   8.652  -4.033
    3    HB2  CYS  13           HB2      CYS  13  -8.918   7.487  -6.194
    4    HB3  CYS  13           HB3      CYS  13  -9.765   6.661  -4.890

  No H/Q in entry =           4
  In of MODEL    9
    1    H    LYS  14           H        LYS  14  -7.913   5.099  -3.994
    2    HA   LYS  14           HA       LYS  14  -8.009   5.198  -1.077
    3    HB2  LYS  14           HB2      LYS  14 -10.071   3.920  -2.848
    4    HB3  LYS  14           HB3      LYS  14  -9.758   3.286  -1.238
    5    HG2  LYS  14           HG2      LYS  14 -10.289   6.196  -1.540
    6    HG3  LYS  14           HG3      LYS  14 -11.638   5.065  -1.665
    7    HD2  LYS  14           HD2      LYS  14  -9.795   4.646   0.603
    8    HD3  LYS  14           HD3      LYS  14 -10.779   6.110   0.663
    9    HE2  LYS  14           HE2      LYS  14 -11.784   4.083   1.764
   10    HE3  LYS  14           HE3      LYS  14 -12.794   4.867   0.550
   11    HZ1  LYS  14           HZ1      LYS  14 -12.108   3.188  -1.049
   12    HZ3  LYS  14           HZ2      LYS  14 -12.826   2.468   0.303
   13    HZ2  LYS  14           HZ3      LYS  14 -11.145   2.434   0.120

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  15           H        LEU  15  -7.450   3.154  -0.073
    2    HA   LEU  15           HA       LEU  15  -5.170   1.985  -0.979
    3    HB2  LEU  15           HB2      LEU  15  -5.860  -0.042   0.429
    4    HB3  LEU  15           HB3      LEU  15  -5.694   1.506   1.229
    5    HG   LEU  15           HG       LEU  15  -7.706  -0.037   1.795
    6   HD11  LEU  15          HD11      LEU  15  -7.222   2.634   2.085
    7   HD13  LEU  15          HD12      LEU  15  -8.561   1.749   2.816
    8   HD12  LEU  15          HD13      LEU  15  -8.801   2.619   1.301
    9   HD23  LEU  15          HD21      LEU  15  -8.843   1.369  -0.613
   10   HD22  LEU  15          HD22      LEU  15  -9.667   0.240   0.462
   11   HD21  LEU  15          HD23      LEU  15  -8.371  -0.330  -0.589

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  16           H        LYS  16  -4.649  -0.073  -1.907
    2    HA   LYS  16           HA       LYS  16  -6.462  -0.750  -4.077
    3    HB2  LYS  16           HB2      LYS  16  -3.588  -0.936  -3.587
    4    HB3  LYS  16           HB3      LYS  16  -4.244  -2.396  -4.314
    5    HG2  LYS  16           HG2      LYS  16  -4.707  -1.378  -6.280
    6    HG3  LYS  16           HG3      LYS  16  -5.072   0.172  -5.518
    7    HD2  LYS  16           HD2      LYS  16  -2.818   0.766  -5.373
    8    HD3  LYS  16           HD3      LYS  16  -2.271  -0.899  -5.585
    9    HE2  LYS  16           HE2      LYS  16  -3.636   0.756  -7.704
   10    HE3  LYS  16           HE3      LYS  16  -1.895   0.512  -7.582
   11    HZ2  LYS  16           HZ1      LYS  16  -3.963  -1.312  -8.499
   12    HZ1  LYS  16           HZ2      LYS  16  -2.733  -2.004  -7.566
   13    HZ3  LYS  16           HZ3      LYS  16  -2.349  -1.170  -8.986

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   PRO  17           HA       PRO  17  -8.033  -4.671  -2.826
    2    HB2  PRO  17           HB2      PRO  17  -6.169  -6.083  -4.678
    3    HB3  PRO  17           HB3      PRO  17  -7.923  -6.231  -4.519
    4    HG2  PRO  17           HG2      PRO  17  -6.859  -4.882  -6.550
    5    HG3  PRO  17           HG3      PRO  17  -8.330  -4.304  -5.746
    6    HD2  PRO  17           HD2      PRO  17  -5.531  -3.298  -5.533
    7    HD3  PRO  17           HD3      PRO  17  -7.062  -2.401  -5.478

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  18           H        ALA  18  -7.631  -5.823  -1.043
    2    HA   ALA  18           HA       ALA  18  -5.228  -5.805   0.329
    3    HB2  ALA  18           HB1      ALA  18  -6.978  -8.152   0.760
    4    HB1  ALA  18           HB2      ALA  18  -7.707  -6.560   0.971
    5    HB3  ALA  18           HB3      ALA  18  -6.294  -7.015   1.922

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  19           H        GLY  19  -3.351  -6.560  -0.426
    2    HA3  GLY  19           HA2      GLY  19  -2.275  -8.896  -0.485
    3    HA2  GLY  19           HA3      GLY  19  -3.341  -9.130  -1.862

  No H/Q in entry =           3
  In of MODEL    9
    1    H    THR  20           H        THR  20  -2.707  -6.038  -2.238
    2    HA   THR  20           HA       THR  20  -0.934  -6.357  -4.378
    3    HB   THR  20           HB       THR  20  -0.967  -3.716  -3.044
    4    HG1  THR  20           HG1      THR  20  -3.330  -4.924  -4.041
    5   HG21  THR  20          HG21      THR  20  -1.183  -4.784  -5.793
    6   HG23  THR  20          HG22      THR  20  -0.249  -3.425  -5.169
    7   HG22  THR  20          HG23      THR  20  -1.982  -3.251  -5.443

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR  21           H        THR  21   1.146  -4.937  -4.479
    2    HA   THR  21           HA       THR  21   2.809  -5.703  -2.174
    3    HB   THR  21           HB       THR  21   4.514  -5.134  -4.319
    4    HG1  THR  21           HG1      THR  21   2.378  -6.774  -5.200
    5   HG21  THR  21          HG21      THR  21   3.513  -7.748  -3.236
    6   HG23  THR  21          HG22      THR  21   5.009  -6.905  -2.835
    7   HG22  THR  21          HG23      THR  21   4.798  -7.615  -4.436

  No H/Q in entry =           7
  In of MODEL    9
    1    H    CYS  22           H        CYS  22   4.513  -4.280  -1.531
    2    HA   CYS  22           HA       CYS  22   4.101  -1.479  -2.341
    3    HB2  CYS  22           HB2      CYS  22   3.139  -1.932  -0.099
    4    HB3  CYS  22           HB3      CYS  22   4.726  -2.456   0.453

  No H/Q in entry =           4
  In of MODEL    9
    1    H    TRP  23           H        TRP  23   5.854  -1.525  -3.756
    2    HA   TRP  23           HA       TRP  23   8.021  -1.245  -4.386
    3    HB2  TRP  23           HB2      TRP  23   7.841   0.225  -2.195
    4    HB3  TRP  23           HB3      TRP  23   8.921  -1.005  -1.545
    5    HD1  TRP  23           HD1      TRP  23   9.229   0.156  -5.181
    6    HE1  TRP  23           HE1      TRP  23  11.475   1.380  -5.464
    7    HE3  TRP  23           HE3      TRP  23  10.683   0.328  -0.282
    8    HZ2  TRP  23           HZ2      TRP  23  13.584   2.298  -3.827
    9    HZ3  TRP  23           HZ3      TRP  23  12.829   1.397   0.274
   10    HH2  TRP  23           HH2      TRP  23  14.248   2.361  -1.463

  No H/Q in entry =          10
  In of MODEL    9
    1    H    ARG  24           H        ARG  24   9.132  -2.906  -5.147
    2    HA   ARG  24           HA       ARG  24  10.292  -4.837  -3.291
    3    HB2  ARG  24           HB2      ARG  24   8.224  -5.441  -5.339
    4    HB3  ARG  24           HB3      ARG  24   9.550  -6.585  -5.179
    5    HG2  ARG  24           HG2      ARG  24   9.040  -6.839  -2.799
    6    HG3  ARG  24           HG3      ARG  24   7.699  -5.704  -2.972
    7    HD2  ARG  24           HD2      ARG  24   6.747  -7.864  -3.069
    8    HD3  ARG  24           HD3      ARG  24   6.769  -7.264  -4.726
    9    HE   ARG  24           HE       ARG  24   9.108  -8.674  -4.425
   10   HH11  ARG  24          HH11      ARG  24   5.701  -9.374  -4.135
   11   HH12  ARG  24          HH12      ARG  24   5.875 -11.034  -4.596
   12   HH21  ARG  24          HH21      ARG  24   9.339 -10.857  -5.032
   13   HH22  ARG  24          HH22      ARG  24   7.940 -11.876  -5.105

  No H/Q in entry =          13
  In of MODEL    9
    1    H    THR  25           H        THR  25  12.328  -4.065  -3.775
    2    HA   THR  25           HA       THR  25  13.191  -4.050  -6.564
    3    HB   THR  25           HB       THR  25  13.800  -2.123  -5.192
    4    HG1  THR  25           HG1      THR  25  15.391  -2.283  -6.571
    5   HG21  THR  25          HG21      THR  25  15.329  -4.079  -3.496
    6   HG23  THR  25          HG22      THR  25  13.939  -3.115  -2.998
    7   HG22  THR  25          HG23      THR  25  15.462  -2.323  -3.406

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  26           H        SER  26  13.782  -5.721  -3.532
    2    HA   SER  26           HA       SER  26  14.589  -8.107  -4.741
    3    HB2  SER  26           HB2      SER  26  16.780  -6.188  -4.094
    4    HB3  SER  26           HB3      SER  26  17.053  -7.899  -3.766
    5    HG   SER  26           HG       SER  26  16.562  -8.321  -5.954

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL  27           H        VAL  27  14.939  -6.007  -1.937
    2    HA   VAL  27           HA       VAL  27  14.623  -8.363  -0.195
    3    HB   VAL  27           HB       VAL  27  16.731  -7.146   0.168
    4   HG11  VAL  27          HG11      VAL  27  15.863  -4.916  -0.516
    5   HG13  VAL  27          HG12      VAL  27  16.783  -4.895   0.988
    6   HG12  VAL  27          HG13      VAL  27  15.022  -4.819   1.031
    7   HG22  VAL  27          HG21      VAL  27  16.317  -8.099   2.162
    8   HG21  VAL  27          HG22      VAL  27  14.659  -7.501   2.220
    9   HG23  VAL  27          HG23      VAL  27  15.994  -6.447   2.686

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  28           H        SER  28  13.491  -5.118  -0.902
    2    HA   SER  28           HA       SER  28  11.733  -4.837   1.285
    3    HB2  SER  28           HB2      SER  28  10.991  -3.567  -1.295
    4    HB3  SER  28           HB3      SER  28  11.111  -2.861   0.316
    5    HG   SER  28           HG       SER  28  13.185  -2.463   0.009

  No H/Q in entry =           5
  In of MODEL    9
    1    H    SER  29           H        SER  29  10.744  -6.934   1.414
    2    HA   SER  29           HA       SER  29   8.784  -7.539  -0.679
    3    HB2  SER  29           HB2      SER  29   8.535  -9.699   0.710
    4    HB3  SER  29           HB3      SER  29  10.034  -9.472  -0.190
    5    HG   SER  29           HG       SER  29  10.725 -10.010   1.788

  No H/Q in entry =           5
  In of MODEL    9
    1    H    HIS  30           H        HIS  30   7.399  -5.769  -0.036
    2    HA   HIS  30           HA       HIS  30   5.987  -6.195   2.505
    3    HB2  HIS  30           HB2      HIS  30   6.201  -3.788   0.696
    4    HB3  HIS  30           HB3      HIS  30   5.052  -3.880   2.027
    5    HD1  HIS  30           HD1      HIS  30   5.989  -2.302   3.705
    6    HD2  HIS  30           HD2      HIS  30   8.885  -4.853   2.166
    7    HE1  HIS  30           HE1      HIS  30   8.070  -1.841   5.041
    8    HE2  HIS  30           HE2      HIS  30   9.831  -3.335   4.034

  No H/Q in entry =           8
  In of MODEL    9
    1    H    TYR  31           H        TYR  31   3.582  -5.226   2.198
    2    HA   TYR  31           HA       TYR  31   2.338  -6.063  -0.267
    3    HB2  TYR  31           HB2      TYR  31   2.029  -7.643   2.276
    4    HB3  TYR  31           HB3      TYR  31   0.774  -7.638   1.042
    5    HD1  TYR  31           HD1      TYR  31   4.118  -8.795   1.926
    6    HD2  TYR  31           HD2      TYR  31   1.179  -8.662  -1.148
    7    HE1  TYR  31           HE1      TYR  31   5.314 -10.569   0.714
    8    HE2  TYR  31           HE2      TYR  31   2.367 -10.437  -2.368
    9    HH   TYR  31           HH       TYR  31   5.457 -11.296  -1.817

  No H/Q in entry =           9
  In of MODEL    9
    1    H    CYS  32           H        CYS  32  -0.067  -5.756  -0.169
    2    HA   CYS  32           HA       CYS  32  -0.661  -3.425   1.510
    3    HB2  CYS  32           HB2      CYS  32  -1.550  -4.311  -1.197
    4    HB3  CYS  32           HB3      CYS  32  -2.656  -3.336  -0.236

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR  33           H        THR  33  -1.997  -3.656   3.162
    2    HA   THR  33           HA       THR  33  -3.360  -6.117   3.654
    3    HB   THR  33           HB       THR  33  -2.559  -5.010   5.573
    4    HG1  THR  33           HG1      THR  33  -5.310  -4.347   5.527
    5   HG23  THR  33          HG21      THR  33  -2.197  -2.791   4.953
    6   HG22  THR  33          HG22      THR  33  -3.444  -2.713   6.197
    7   HG21  THR  33          HG23      THR  33  -3.883  -2.550   4.497

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  34           H        GLY  34  -4.152  -3.520   1.715
    2    HA3  GLY  34           HA2      GLY  34  -6.079  -2.947   0.613
    3    HA2  GLY  34           HA3      GLY  34  -6.739  -4.482   1.154

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ARG  35           H        ARG  35  -5.635  -2.318   3.596
    2    HA   ARG  35           HA       ARG  35  -8.434  -1.627   4.205
    3    HB2  ARG  35           HB2      ARG  35  -7.879  -1.648   6.546
    4    HB3  ARG  35           HB3      ARG  35  -7.345  -3.163   5.834
    5    HG2  ARG  35           HG2      ARG  35  -5.376  -2.796   6.784
    6    HG3  ARG  35           HG3      ARG  35  -5.141  -1.495   5.615
    7    HD2  ARG  35           HD2      ARG  35  -6.331   0.024   7.228
    8    HD3  ARG  35           HD3      ARG  35  -6.255  -1.287   8.405
    9    HE   ARG  35           HE       ARG  35  -3.678  -0.809   7.401
   10   HH11  ARG  35          HH11      ARG  35  -6.085   0.706   9.423
   11   HH12  ARG  35          HH12      ARG  35  -4.924   1.582  10.363
   12   HH21  ARG  35          HH21      ARG  35  -2.150   0.341   8.637
   13   HH22  ARG  35          HH22      ARG  35  -2.690   1.375   9.917

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  36           H        SER  36  -5.159  -0.458   3.914
    2    HA   SER  36           HA       SER  36  -6.117   2.256   3.687
    3    HB2  SER  36           HB2      SER  36  -4.606   1.299   6.067
    4    HB3  SER  36           HB3      SER  36  -4.148   2.865   5.397
    5    HG   SER  36           HG       SER  36  -5.848   3.650   6.323

  No H/Q in entry =           5
  In of MODEL    9
    1    H    CYS  37           H        CYS  37  -4.646   3.628   2.630
    2    HA   CYS  37           HA       CYS  37  -2.776   2.274   0.951
    3    HB2  CYS  37           HB2      CYS  37  -4.157   4.276   0.277
    4    HB3  CYS  37           HB3      CYS  37  -3.085   5.261   1.267

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU  38           H        GLU  38  -2.560   3.813   4.007
    2    HA   GLU  38           HA       GLU  38   0.064   4.756   4.003
    3    HB2  GLU  38           HB2      GLU  38  -1.789   3.755   6.127
    4    HB3  GLU  38           HB3      GLU  38  -0.106   4.060   6.537
    5    HG2  GLU  38           HG2      GLU  38  -0.702   6.349   5.256
    6    HG3  GLU  38           HG3      GLU  38  -2.281   5.942   5.927

  No H/Q in entry =           6
  In of MODEL    9
    1    H    CYS  39           H        CYS  39   1.402   3.343   2.862
    2    HA   CYS  39           HA       CYS  39   1.660   0.602   3.259
    3    HB2  CYS  39           HB2      CYS  39   3.222   2.724   1.984
    4    HB3  CYS  39           HB3      CYS  39   4.216   1.405   2.595

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   PRO  40           HA       PRO  40   3.113   0.700   7.547
    2    HB2  PRO  40           HB2      PRO  40   3.608  -2.151   6.829
    3    HB3  PRO  40           HB3      PRO  40   2.803  -1.471   8.247
    4    HG2  PRO  40           HG2      PRO  40   1.384  -2.581   6.290
    5    HG3  PRO  40           HG3      PRO  40   0.810  -1.118   7.112
    6    HD2  PRO  40           HD2      PRO  40   2.040  -1.417   4.410
    7    HD3  PRO  40           HD3      PRO  40   0.763  -0.311   4.955

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  41           H        SER  41   5.137  -0.201   8.625
    2    HA   SER  41           HA       SER  41   7.410   0.373   6.883
    3    HB2  SER  41           HB2      SER  41   6.951   0.440   9.839
    4    HB3  SER  41           HB3      SER  41   8.597   0.246   9.238
    5    HG   SER  41           HG       SER  41   7.966   2.455   9.557

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  42           H        TYR  42   6.023  -2.196   8.803
    2    HA   TYR  42           HA       TYR  42   8.310  -3.910   8.685
    3    HB2  TYR  42           HB2      TYR  42   6.641  -5.669   9.428
    4    HB3  TYR  42           HB3      TYR  42   6.804  -4.274  10.490
    5    HD1  TYR  42           HD1      TYR  42   4.674  -5.721   7.812
    6    HD2  TYR  42           HD2      TYR  42   4.932  -2.973  11.050
    7    HE1  TYR  42           HE1      TYR  42   2.248  -5.346   7.679
    8    HE2  TYR  42           HE2      TYR  42   2.506  -2.591  10.926
    9    HH   TYR  42           HH       TYR  42   0.633  -3.488   8.326

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   PRO  43           HA       PRO  43   7.790  -5.628   4.654
    2    HB2  PRO  43           HB2      PRO  43   8.840  -8.103   5.011
    3    HB3  PRO  43           HB3      PRO  43   9.832  -6.642   4.951
    4    HG2  PRO  43           HG2      PRO  43   8.865  -8.178   7.332
    5    HG3  PRO  43           HG3      PRO  43  10.467  -7.480   7.026
    6    HD2  PRO  43           HD2      PRO  43   8.633  -6.276   8.613
    7    HD3  PRO  43           HD3      PRO  43   9.800  -5.360   7.638

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  44           H        GLY  44   6.518  -7.347   7.431
    2    HA3  GLY  44           HA2      GLY  44   4.007  -7.825   6.655
    3    HA2  GLY  44           HA3      GLY  44   4.868  -9.082   5.780

  No H/Q in entry =           3
  In of MODEL   10
    1    H1   ALA   1           H2       ALA   1 -14.776  16.634   4.289
    2    H2   ALA   1           H1       ALA   1 -16.063  16.173   5.327
    3    H3   ALA   1           H3       ALA   1 -14.440  15.870   5.789
    4    HA   ALA   1           HA       ALA   1 -15.490  13.885   5.056
    5    HB3  ALA   1           HB1      ALA   1 -15.801  15.238   2.384
    6    HB1  ALA   1           HB2      ALA   1 -17.109  15.059   3.554
    7    HB2  ALA   1           HB3      ALA   1 -16.354  13.629   2.848

  No H/Q in entry =           7
  In of MODEL   10
    1    H    MET   2           H        MET   2 -13.917  12.453   4.755
    2    HA   MET   2           HA       MET   2 -11.520  13.313   3.282
    3    HB2  MET   2           HB2      MET   2 -11.477  12.602   5.791
    4    HB3  MET   2           HB3      MET   2 -11.576  10.967   5.150
    5    HG2  MET   2           HG2      MET   2  -9.343  11.093   5.170
    6    HG3  MET   2           HG3      MET   2  -9.570  11.953   3.648
    7    HE3  MET   2           HE1      MET   2  -6.720  12.654   5.122
    8    HE2  MET   2           HE2      MET   2  -6.902  14.331   4.606
    9    HE1  MET   2           HE3      MET   2  -7.488  13.023   3.578

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP   3           H        ASP   3 -12.551  12.731   1.263
    2    HA   ASP   3           HA       ASP   3 -13.032   9.890   0.819
    3    HB2  ASP   3           HB2      ASP   3 -13.283  12.143  -1.179
    4    HB3  ASP   3           HB3      ASP   3 -13.973  10.527  -1.296

  No H/Q in entry =           4
  In of MODEL   10
    1    H    CYS   4           H        CYS   4 -11.814   8.593  -0.492
    2    HA   CYS   4           HA       CYS   4  -9.987   7.818  -1.602
    3    HB2  CYS   4           HB2      CYS   4 -10.548  10.389  -2.758
    4    HB3  CYS   4           HB3      CYS   4  -8.808  10.133  -2.719

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR   5           H        THR   5  -8.181   7.181  -0.649
    2    HA   THR   5           HA       THR   5  -6.892   8.896   1.308
    3    HB   THR   5           HB       THR   5  -5.453   6.788   1.630
    4    HG1  THR   5           HG1      THR   5  -6.193   5.923  -0.464
    5   HG23  THR   5          HG21      THR   5  -6.799   6.300   3.312
    6   HG22  THR   5          HG22      THR   5  -8.061   5.742   2.214
    7   HG21  THR   5          HG23      THR   5  -7.959   7.449   2.647

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR   6           H        THR   6  -4.387   8.669   1.359
    2    HA   THR   6           HA       THR   6  -3.267   8.838  -1.344
    3    HB   THR   6           HB       THR   6  -2.162  10.866   0.449
    4    HG1  THR   6           HG1      THR   6  -4.850  11.152  -0.407
    5   HG23  THR   6          HG21      THR   6  -1.636  10.894  -1.893
    6   HG22  THR   6          HG22      THR   6  -2.564  12.337  -1.481
    7   HG21  THR   6          HG23      THR   6  -3.346  10.992  -2.312

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY   7           H        GLY   7  -1.237   8.044  -1.542
    2    HA3  GLY   7           HA2      GLY   7   0.904   7.949   0.013
    3    HA2  GLY   7           HA3      GLY   7  -0.103   6.758   0.821

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO   8           HA       PRO   8   2.220   4.897  -2.878
    2    HB2  PRO   8           HB2      PRO   8   4.263   3.662  -1.633
    3    HB3  PRO   8           HB3      PRO   8   4.361   5.350  -2.147
    4    HG2  PRO   8           HG2      PRO   8   3.796   4.227   0.570
    5    HG3  PRO   8           HG3      PRO   8   4.843   5.584   0.116
    6    HD2  PRO   8           HD2      PRO   8   2.316   5.902   1.092
    7    HD3  PRO   8           HD3      PRO   8   3.087   7.057  -0.012

  No H/Q in entry =           7
  In of MODEL   10
    1    H    CYS   9           H        CYS   9  -0.063   3.909  -2.037
    2    HA   CYS   9           HA       CYS   9   0.198   1.136  -2.237
    3    HB2  CYS   9           HB2      CYS   9   0.913   1.769   0.258
    4    HB3  CYS   9           HB3      CYS   9  -0.830   1.702   0.498

  No H/Q in entry =           4
  In of MODEL   10
    1    H    CYS  10           H        CYS  10  -1.336   3.056  -3.484
    2    HA   CYS  10           HA       CYS  10  -3.928   1.908  -3.293
    3    HB2  CYS  10           HB2      CYS  10  -4.963   4.299  -2.847
    4    HB3  CYS  10           HB3      CYS  10  -4.535   3.232  -1.515

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ARG  11           H        ARG  11  -4.897   2.050  -5.224
    2    HA   ARG  11           HA       ARG  11  -3.608   3.203  -7.430
    3    HB2  ARG  11           HB2      ARG  11  -5.565   1.378  -7.165
    4    HB3  ARG  11           HB3      ARG  11  -6.542   2.775  -7.595
    5    HG2  ARG  11           HG2      ARG  11  -4.832   3.040  -9.535
    6    HG3  ARG  11           HG3      ARG  11  -4.475   1.344  -9.201
    7    HD2  ARG  11           HD2      ARG  11  -6.498   0.630  -9.947
    8    HD3  ARG  11           HD3      ARG  11  -7.329   2.094  -9.424
    9    HE   ARG  11           HE       ARG  11  -7.031   2.942 -11.518
   10   HH11  ARG  11          HH11      ARG  11  -4.713   0.378 -11.036
   11   HH12  ARG  11          HH12      ARG  11  -4.129   0.430 -12.665
   12   HH21  ARG  11          HH21      ARG  11  -6.263   3.013 -13.661
   13   HH22  ARG  11          HH22      ARG  11  -5.008   1.927 -14.155

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  12           H        GLN  12  -3.270   5.334  -7.580
    2    HA   GLN  12           HA       GLN  12  -3.696   7.555  -7.843
    3    HB2  GLN  12           HB2      GLN  12  -6.238   6.287  -8.462
    4    HB3  GLN  12           HB3      GLN  12  -6.463   7.881  -7.754
    5    HG2  GLN  12           HG2      GLN  12  -5.680   8.938  -9.566
    6    HG3  GLN  12           HG3      GLN  12  -4.413   7.745  -9.844
    7   HE21  GLN  12          HE21      GLN  12  -7.900   7.268  -9.611
    8   HE22  GLN  12          HE22      GLN  12  -8.106   6.659 -11.215

  No H/Q in entry =           8
  In of MODEL   10
    1    H    CYS  13           H        CYS  13  -6.507   6.593  -5.913
    2    HA   CYS  13           HA       CYS  13  -5.356   7.652  -3.495
    3    HB2  CYS  13           HB2      CYS  13  -7.242   9.265  -3.144
    4    HB3  CYS  13           HB3      CYS  13  -6.127   9.724  -4.425

  No H/Q in entry =           4
  In of MODEL   10
    1    H    LYS  14           H        LYS  14  -6.452   5.117  -4.501
    2    HA   LYS  14           HA       LYS  14  -8.579   4.759  -2.495
    3    HB2  LYS  14           HB2      LYS  14  -9.082   4.591  -5.121
    4    HB3  LYS  14           HB3      LYS  14  -8.518   2.948  -4.850
    5    HG2  LYS  14           HG2      LYS  14 -10.208   2.917  -2.910
    6    HG3  LYS  14           HG3      LYS  14 -10.908   4.332  -3.700
    7    HD2  LYS  14           HD2      LYS  14 -10.707   2.718  -5.822
    8    HD3  LYS  14           HD3      LYS  14 -10.864   1.496  -4.558
    9    HE2  LYS  14           HE2      LYS  14 -12.844   3.034  -3.771
   10    HE3  LYS  14           HE3      LYS  14 -12.805   3.578  -5.448
   11    HZ3  LYS  14           HZ1      LYS  14 -14.280   1.829  -5.516
   12    HZ2  LYS  14           HZ2      LYS  14 -13.430   0.905  -4.383
   13    HZ1  LYS  14           HZ3      LYS  14 -12.838   1.063  -5.959

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  15           H        LEU  15  -8.165   3.278  -0.999
    2    HA   LEU  15           HA       LEU  15  -5.778   2.052  -0.560
    3    HB2  LEU  15           HB2      LEU  15  -8.562   1.276   0.236
    4    HB3  LEU  15           HB3      LEU  15  -7.190   0.298   0.722
    5    HG   LEU  15           HG       LEU  15  -7.424   3.237   1.351
    6   HD11  LEU  15          HD11      LEU  15  -9.272   1.965   2.372
    7   HD13  LEU  15          HD12      LEU  15  -8.143   2.604   3.567
    8   HD12  LEU  15          HD13      LEU  15  -8.090   0.897   3.129
    9   HD23  LEU  15          HD21      LEU  15  -5.743   1.143   2.700
   10   HD22  LEU  15          HD22      LEU  15  -5.616   2.898   2.818
   11   HD21  LEU  15          HD23      LEU  15  -5.163   2.079   1.323

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  16           H        LYS  16  -4.628   0.661  -1.711
    2    HA   LYS  16           HA       LYS  16  -5.575  -0.800  -3.892
    3    HB2  LYS  16           HB2      LYS  16  -3.086  -0.448  -2.517
    4    HB3  LYS  16           HB3      LYS  16  -3.315  -2.160  -2.844
    5    HG2  LYS  16           HG2      LYS  16  -3.050  -1.908  -5.060
    6    HG3  LYS  16           HG3      LYS  16  -3.906  -0.366  -5.095
    7    HD2  LYS  16           HD2      LYS  16  -1.799   0.536  -3.872
    8    HD3  LYS  16           HD3      LYS  16  -1.027  -0.923  -4.495
    9    HE2  LYS  16           HE2      LYS  16  -2.325   1.292  -6.068
   10    HE3  LYS  16           HE3      LYS  16  -0.622   0.837  -6.055
   11    HZ1  LYS  16           HZ1      LYS  16  -1.231  -1.282  -7.065
   12    HZ3  LYS  16           HZ2      LYS  16  -1.716   0.017  -8.033
   13    HZ2  LYS  16           HZ3      LYS  16  -2.857  -0.815  -7.103

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   PRO  17           HA       PRO  17  -7.548  -4.416  -2.346
    2    HB2  PRO  17           HB2      PRO  17  -6.332  -6.393  -3.852
    3    HB3  PRO  17           HB3      PRO  17  -7.675  -5.386  -4.401
    4    HG2  PRO  17           HG2      PRO  17  -4.749  -5.098  -4.930
    5    HG3  PRO  17           HG3      PRO  17  -6.118  -4.842  -6.027
    6    HD2  PRO  17           HD2      PRO  17  -4.825  -2.782  -4.899
    7    HD3  PRO  17           HD3      PRO  17  -6.581  -2.741  -5.159

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  18           H        ALA  18  -7.245  -5.524  -0.525
    2    HA   ALA  18           HA       ALA  18  -4.871  -5.666   0.877
    3    HB2  ALA  18           HB1      ALA  18  -5.974  -7.022   2.422
    4    HB3  ALA  18           HB2      ALA  18  -6.988  -7.767   1.186
    5    HB1  ALA  18           HB3      ALA  18  -7.273  -6.096   1.671

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  19           H        GLY  19  -3.036  -6.624   0.308
    2    HA3  GLY  19           HA2      GLY  19  -1.879  -8.774   0.196
    3    HA2  GLY  19           HA3      GLY  19  -3.187  -9.347  -0.829

  No H/Q in entry =           3
  In of MODEL   10
    1    H    THR  20           H        THR  20  -1.873  -6.153  -1.240
    2    HA   THR  20           HA       THR  20  -0.447  -7.064  -3.650
    3    HB   THR  20           HB       THR  20  -2.109  -4.553  -3.356
    4    HG1  THR  20           HG1      THR  20  -2.528  -6.967  -4.770
    5   HG23  THR  20          HG21      THR  20  -1.568  -3.920  -5.490
    6   HG22  THR  20          HG22      THR  20  -1.043  -5.538  -5.955
    7   HG21  THR  20          HG23      THR  20  -0.025  -4.547  -4.910

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR  21           H        THR  21   1.645  -6.628  -3.531
    2    HA   THR  21           HA       THR  21   2.845  -5.117  -1.513
    3    HB   THR  21           HB       THR  21   4.435  -5.252  -3.960
    4    HG1  THR  21           HG1      THR  21   3.427  -7.688  -2.923
    5   HG22  THR  21          HG21      THR  21   5.124  -7.058  -1.791
    6   HG21  THR  21          HG22      THR  21   4.933  -5.382  -1.274
    7   HG23  THR  21          HG23      THR  21   6.073  -5.785  -2.559

  No H/Q in entry =           7
  In of MODEL   10
    1    H    CYS  22           H        CYS  22   4.068  -3.137  -1.662
    2    HA   CYS  22           HA       CYS  22   2.761  -1.193  -3.433
    3    HB2  CYS  22           HB2      CYS  22   3.686   0.500  -1.807
    4    HB3  CYS  22           HB3      CYS  22   2.485  -0.599  -1.138

  No H/Q in entry =           4
  In of MODEL   10
    1    H    TRP  23           H        TRP  23   5.942  -2.178  -2.218
    2    HA   TRP  23           HA       TRP  23   7.249  -0.481  -4.201
    3    HB2  TRP  23           HB2      TRP  23   7.959  -0.811  -1.692
    4    HB3  TRP  23           HB3      TRP  23   8.746  -2.258  -2.314
    5    HD1  TRP  23           HD1      TRP  23   9.440  -0.555  -5.165
    6    HE1  TRP  23           HE1      TRP  23  11.539   0.932  -5.083
    7    HE3  TRP  23           HE3      TRP  23   9.944  -0.139  -0.094
    8    HZ2  TRP  23           HZ2      TRP  23  13.189   2.124  -3.128
    9    HZ3  TRP  23           HZ3      TRP  23  11.810   1.193   0.801
   10    HH2  TRP  23           HH2      TRP  23  13.398   2.300  -0.686

  No H/Q in entry =          10
  In of MODEL   10
    1    H    ARG  24           H        ARG  24   6.996  -3.879  -3.278
    2    HA   ARG  24           HA       ARG  24   7.434  -5.814  -4.394
    3    HB2  ARG  24           HB2      ARG  24   5.797  -4.647  -5.968
    4    HB3  ARG  24           HB3      ARG  24   7.199  -4.212  -6.936
    5    HG2  ARG  24           HG2      ARG  24   6.863  -7.065  -6.205
    6    HG3  ARG  24           HG3      ARG  24   5.773  -6.385  -7.415
    7    HD2  ARG  24           HD2      ARG  24   7.820  -5.532  -8.611
    8    HD3  ARG  24           HD3      ARG  24   8.780  -6.502  -7.496
    9    HE   ARG  24           HE       ARG  24   6.836  -8.144  -8.667
   10   HH11  ARG  24          HH11      ARG  24   9.724  -6.396  -9.550
   11   HH12  ARG  24          HH12      ARG  24  10.139  -7.481 -10.834
   12   HH21  ARG  24          HH21      ARG  24   7.381  -9.573 -10.355
   13   HH22  ARG  24          HH22      ARG  24   8.809  -9.285 -11.292

  No H/Q in entry =          13
  In of MODEL   10
    1    H    THR  25           H        THR  25   9.623  -5.728  -3.571
    2    HA   THR  25           HA       THR  25  11.572  -5.495  -5.753
    3    HB   THR  25           HB       THR  25  12.540  -4.741  -3.059
    4    HG1  THR  25           HG1      THR  25  10.598  -3.584  -3.142
    5   HG23  THR  25          HG21      THR  25  14.229  -4.351  -4.493
    6   HG22  THR  25          HG22      THR  25  13.400  -2.807  -4.684
    7   HG21  THR  25          HG23      THR  25  13.154  -4.092  -5.867

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  26           H        SER  26  13.830  -6.309  -4.581
    2    HA   SER  26           HA       SER  26  13.313  -9.098  -4.101
    3    HB2  SER  26           HB2      SER  26  15.837  -7.461  -4.319
    4    HB3  SER  26           HB3      SER  26  15.863  -9.174  -3.902
    5    HG   SER  26           HG       SER  26  15.928  -8.305  -6.269

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL  27           H        VAL  27  14.208  -6.305  -2.206
    2    HA   VAL  27           HA       VAL  27  14.558  -7.986   0.174
    3    HB   VAL  27           HB       VAL  27  16.343  -6.359  -0.270
    4   HG12  VAL  27          HG11      VAL  27  15.825  -3.927   0.082
    5   HG11  VAL  27          HG12      VAL  27  14.116  -4.346  -0.043
    6   HG13  VAL  27          HG13      VAL  27  15.193  -4.620  -1.412
    7   HG22  VAL  27          HG21      VAL  27  16.657  -5.861   1.923
    8   HG21  VAL  27          HG22      VAL  27  15.286  -6.955   2.107
    9   HG23  VAL  27          HG23      VAL  27  15.030  -5.210   2.124

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  28           H        SER  28  12.523  -5.518  -1.227
    2    HA   SER  28           HA       SER  28  10.977  -5.255   1.234
    3    HB2  SER  28           HB2      SER  28  10.076  -3.878  -1.231
    4    HB3  SER  28           HB3      SER  28  10.209  -3.269   0.419
    5    HG   SER  28           HG       SER  28  12.365  -2.921   0.118

  No H/Q in entry =           5
  In of MODEL   10
    1    H    SER  29           H        SER  29   9.617  -6.902   1.567
    2    HA   SER  29           HA       SER  29   7.950  -7.794  -0.694
    3    HB2  SER  29           HB2      SER  29   8.990  -9.327   1.691
    4    HB3  SER  29           HB3      SER  29   7.689  -9.930   0.665
    5    HG   SER  29           HG       SER  29  10.200  -9.128  -0.365

  No H/Q in entry =           5
  In of MODEL   10
    1    H    HIS  30           H        HIS  30   7.429  -5.542   1.069
    2    HA   HIS  30           HA       HIS  30   5.590  -6.154   3.093
    3    HB2  HIS  30           HB2      HIS  30   5.514  -3.666   1.385
    4    HB3  HIS  30           HB3      HIS  30   4.984  -3.844   3.054
    5    HD1  HIS  30           HD1      HIS  30   6.775  -3.724   4.885
    6    HD2  HIS  30           HD2      HIS  30   8.299  -3.404   1.033
    7    HE1  HIS  30           HE1      HIS  30   9.156  -2.966   5.165
    8    HE2  HIS  30           HE2      HIS  30  10.084  -2.864   2.825

  No H/Q in entry =           8
  In of MODEL   10
    1    H    TYR  31           H        TYR  31   3.257  -4.898   2.691
    2    HA   TYR  31           HA       TYR  31   1.990  -5.590   0.226
    3    HB2  TYR  31           HB2      TYR  31   1.723  -7.403   2.595
    4    HB3  TYR  31           HB3      TYR  31   0.342  -7.172   1.528
    5    HD1  TYR  31           HD1      TYR  31   3.352  -8.981   2.067
    6    HD2  TYR  31           HD2      TYR  31   0.739  -7.596  -0.993
    7    HE1  TYR  31           HE1      TYR  31   4.268 -10.667   0.529
    8    HE2  TYR  31           HE2      TYR  31   1.648  -9.279  -2.539
    9    HH   TYR  31           HH       TYR  31   2.806 -11.533  -2.334

  No H/Q in entry =           9
  In of MODEL   10
    1    H    CYS  32           H        CYS  32  -0.234  -4.932   0.149
    2    HA   CYS  32           HA       CYS  32  -0.791  -2.785   2.032
    3    HB2  CYS  32           HB2      CYS  32  -1.169  -3.084  -0.711
    4    HB3  CYS  32           HB3      CYS  32  -2.793  -3.191  -0.041

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR  33           H        THR  33  -2.335  -2.835   3.551
    2    HA   THR  33           HA       THR  33  -3.851  -5.312   3.859
    3    HB   THR  33           HB       THR  33  -4.164  -4.705   6.130
    4    HG1  THR  33           HG1      THR  33  -3.191  -2.121   5.491
    5   HG22  THR  33          HG21      THR  33  -1.493  -3.461   5.808
    6   HG21  THR  33          HG22      THR  33  -1.709  -5.131   5.284
    7   HG23  THR  33          HG23      THR  33  -2.048  -4.680   6.955

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  34           H        GLY  34  -4.456  -2.936   1.983
    2    HA3  GLY  34           HA2      GLY  34  -6.296  -1.755   1.266
    3    HA2  GLY  34           HA3      GLY  34  -7.187  -3.158   1.836

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ARG  35           H        ARG  35  -5.355  -1.178   4.041
    2    HA   ARG  35           HA       ARG  35  -7.880  -0.073   5.081
    3    HB2  ARG  35           HB2      ARG  35  -6.452  -1.901   6.404
    4    HB3  ARG  35           HB3      ARG  35  -5.578  -0.466   6.920
    5    HG2  ARG  35           HG2      ARG  35  -8.037   0.397   7.404
    6    HG3  ARG  35           HG3      ARG  35  -8.340  -1.336   7.541
    7    HD2  ARG  35           HD2      ARG  35  -6.082  -1.131   8.995
    8    HD3  ARG  35           HD3      ARG  35  -6.775   0.465   9.277
    9    HE   ARG  35           HE       ARG  35  -8.671  -1.645   9.648
   10   HH11  ARG  35          HH11      ARG  35  -6.083   0.128  11.176
   11   HH12  ARG  35          HH12      ARG  35  -6.647  -0.188  12.783
   12   HH21  ARG  35          HH21      ARG  35  -9.415  -2.062  11.760
   13   HH22  ARG  35          HH22      ARG  35  -8.538  -1.432  13.114

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  36           H        SER  36  -4.407   0.429   4.719
    2    HA   SER  36           HA       SER  36  -4.889   3.314   4.628
    3    HB2  SER  36           HB2      SER  36  -3.127   1.874   6.566
    4    HB3  SER  36           HB3      SER  36  -2.595   3.439   5.949
    5    HG   SER  36           HG       SER  36  -4.862   2.811   7.493

  No H/Q in entry =           5
  In of MODEL   10
    1    H    CYS  37           H        CYS  37  -3.397   4.484   3.390
    2    HA   CYS  37           HA       CYS  37  -2.182   3.005   1.275
    3    HB2  CYS  37           HB2      CYS  37  -2.175   5.939   1.984
    4    HB3  CYS  37           HB3      CYS  37  -1.340   5.296   0.574

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU  38           H        GLU  38  -1.096   4.155   4.327
    2    HA   GLU  38           HA       GLU  38   1.681   4.339   3.692
    3    HB2  GLU  38           HB2      GLU  38   0.210   5.207   5.772
    4    HB3  GLU  38           HB3      GLU  38   0.858   3.732   6.477
    5    HG2  GLU  38           HG2      GLU  38   2.956   4.544   6.592
    6    HG3  GLU  38           HG3      GLU  38   2.799   5.466   5.098

  No H/Q in entry =           6
  In of MODEL   10
    1    H    CYS  39           H        CYS  39   2.589   2.548   2.843
    2    HA   CYS  39           HA       CYS  39   1.935  -0.098   3.417
    3    HB2  CYS  39           HB2      CYS  39   3.669   1.179   1.694
    4    HB3  CYS  39           HB3      CYS  39   4.762   0.305   2.761

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   PRO  40           HA       PRO  40   3.491  -1.042   7.432
    2    HB2  PRO  40           HB2      PRO  40   4.653  -3.475   6.163
    3    HB3  PRO  40           HB3      PRO  40   3.596  -3.336   7.573
    4    HG2  PRO  40           HG2      PRO  40   2.637  -4.179   5.237
    5    HG3  PRO  40           HG3      PRO  40   1.682  -3.108   6.281
    6    HD2  PRO  40           HD2      PRO  40   3.184  -2.475   3.780
    7    HD3  PRO  40           HD3      PRO  40   1.646  -1.816   4.372

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  41           H        SER  41   5.596  -1.887   8.485
    2    HA   SER  41           HA       SER  41   7.917  -0.827   7.012
    3    HB2  SER  41           HB2      SER  41   8.743   0.232   8.972
    4    HB3  SER  41           HB3      SER  41   7.033   0.657   8.891
    5    HG   SER  41           HG       SER  41   8.378  -1.000  10.678

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  42           H        TYR  42   6.989  -3.572   7.223
    2    HA   TYR  42           HA       TYR  42   9.280  -4.732   8.671
    3    HB2  TYR  42           HB2      TYR  42   6.683  -6.178   8.164
    4    HB3  TYR  42           HB3      TYR  42   7.985  -6.636   9.257
    5    HD1  TYR  42           HD1      TYR  42   4.842  -5.016   8.981
    6    HD2  TYR  42           HD2      TYR  42   8.452  -5.018  11.233
    7    HE1  TYR  42           HE1      TYR  42   3.686  -3.870  10.825
    8    HE2  TYR  42           HE2      TYR  42   7.306  -3.873  13.082
    9    HH   TYR  42           HH       TYR  42   4.784  -2.214  12.939

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   PRO  43           HA       PRO  43  10.070  -5.500   4.183
    2    HB2  PRO  43           HB2      PRO  43  12.638  -6.267   5.491
    3    HB3  PRO  43           HB3      PRO  43  12.360  -5.306   4.034
    4    HG2  PRO  43           HG2      PRO  43  13.052  -4.130   6.318
    5    HG3  PRO  43           HG3      PRO  43  11.861  -3.385   5.235
    6    HD2  PRO  43           HD2      PRO  43  11.441  -4.832   7.810
    7    HD3  PRO  43           HD3      PRO  43  10.565  -3.442   7.139

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  44           H        GLY  44   8.929  -7.328   3.742
    2    HA3  GLY  44           HA2      GLY  44   9.137  -9.755   5.179
    3    HA2  GLY  44           HA3      GLY  44   8.411  -9.561   3.591

  No H/Q in entry =           3
  In of MODEL   11
    1    H1   ALA   1           H3       ALA   1 -15.971  11.884   6.647
    2    H2   ALA   1           H2       ALA   1 -14.928  13.244   6.727
    3    H3   ALA   1           H1       ALA   1 -16.573  13.447   6.282
    4    HA   ALA   1           HA       ALA   1 -16.271  12.329   4.280
    5    HB2  ALA   1           HB1      ALA   1 -14.288  13.718   3.344
    6    HB1  ALA   1           HB2      ALA   1 -14.270  14.446   4.950
    7    HB3  ALA   1           HB3      ALA   1 -15.720  14.549   3.951

  No H/Q in entry =           7
  In of MODEL   11
    1    H    MET   2           H        MET   2 -14.835  11.272   2.750
    2    HA   MET   2           HA       MET   2 -12.930   9.520   4.134
    3    HB2  MET   2           HB2      MET   2 -14.385   9.203   1.505
    4    HB3  MET   2           HB3      MET   2 -13.174   8.075   2.099
    5    HG2  MET   2           HG2      MET   2 -14.571   7.646   4.073
    6    HG3  MET   2           HG3      MET   2 -15.794   8.736   3.424
    7    HE3  MET   2           HE1      MET   2 -17.963   6.710   3.035
    8    HE2  MET   2           HE2      MET   2 -17.899   6.821   1.276
    9    HE1  MET   2           HE3      MET   2 -17.524   8.234   2.263

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP   3           H        ASP   3 -13.255  11.730   1.424
    2    HA   ASP   3           HA       ASP   3 -11.728  12.768   0.097
    3    HB2  ASP   3           HB2      ASP   3 -10.722  12.961   2.587
    4    HB3  ASP   3           HB3      ASP   3  -9.427  12.043   1.824

  No H/Q in entry =           4
  In of MODEL   11
    1    H    CYS   4           H        CYS   4  -9.554  12.412  -1.080
    2    HA   CYS   4           HA       CYS   4  -9.480   9.595  -1.902
    3    HB2  CYS   4           HB2      CYS   4  -8.862  12.176  -3.298
    4    HB3  CYS   4           HB3      CYS   4  -8.151  10.675  -3.880

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR   5           H        THR   5  -7.918   8.441  -0.996
    2    HA   THR   5           HA       THR   5  -5.668   9.502   0.307
    3    HB   THR   5           HB       THR   5  -4.839   7.154   0.323
    4    HG1  THR   5           HG1      THR   5  -5.809   6.688  -1.799
    5   HG23  THR   5          HG21      THR   5  -6.283   7.600   2.107
    6   HG22  THR   5          HG22      THR   5  -6.887   6.109   1.386
    7   HG21  THR   5          HG23      THR   5  -7.702   7.639   1.061

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR   6           H        THR   6  -3.375   8.863  -0.265
    2    HA   THR   6           HA       THR   6  -2.771   8.636  -3.079
    3    HB   THR   6           HB       THR   6  -1.321  10.735  -2.989
    4    HG1  THR   6           HG1      THR   6  -1.875  12.260  -1.468
    5   HG22  THR   6          HG21      THR   6  -4.251  11.338  -2.773
    6   HG21  THR   6          HG22      THR   6  -3.526  10.579  -4.191
    7   HG23  THR   6          HG23      THR   6  -3.020  12.196  -3.700

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY   7           H        GLY   7  -1.225   7.147  -3.087
    2    HA3  GLY   7           HA2      GLY   7   1.318   7.444  -2.083
    3    HA2  GLY   7           HA3      GLY   7   0.424   6.626  -0.810

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO   8           HA       PRO   8   1.995   3.401  -3.753
    2    HB2  PRO   8           HB2      PRO   8   3.338   1.896  -1.982
    3    HB3  PRO   8           HB3      PRO   8   4.049   3.350  -2.695
    4    HG2  PRO   8           HG2      PRO   8   2.785   2.982  -0.006
    5    HG3  PRO   8           HG3      PRO   8   4.262   3.864  -0.437
    6    HD2  PRO   8           HD2      PRO   8   1.836   5.066  -0.020
    7    HD3  PRO   8           HD3      PRO   8   3.103   5.738  -1.063

  No H/Q in entry =           7
  In of MODEL   11
    1    H    CYS   9           H        CYS   9   0.695   2.999  -0.470
    2    HA   CYS   9           HA       CYS   9  -0.284   0.365  -0.916
    3    HB2  CYS   9           HB2      CYS   9  -0.082   2.153   1.276
    4    HB3  CYS   9           HB3      CYS   9  -1.774   1.685   1.144

  No H/Q in entry =           4
  In of MODEL   11
    1    H    CYS  10           H        CYS  10  -1.691   3.583  -1.185
    2    HA   CYS  10           HA       CYS  10  -4.239   2.413  -2.032
    3    HB2  CYS  10           HB2      CYS  10  -5.177   4.637  -1.777
    4    HB3  CYS  10           HB3      CYS  10  -4.295   4.200  -0.318

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ARG  11           H        ARG  11  -5.244   3.052  -3.995
    2    HA   ARG  11           HA       ARG  11  -3.438   3.217  -6.177
    3    HB2  ARG  11           HB2      ARG  11  -6.337   2.927  -5.811
    4    HB3  ARG  11           HB3      ARG  11  -5.876   3.773  -7.282
    5    HG2  ARG  11           HG2      ARG  11  -5.132   1.910  -8.261
    6    HG3  ARG  11           HG3      ARG  11  -4.329   1.346  -6.795
    7    HD2  ARG  11           HD2      ARG  11  -6.727   0.848  -5.962
    8    HD3  ARG  11           HD3      ARG  11  -7.169   0.961  -7.665
    9    HE   ARG  11           HE       ARG  11  -5.748  -1.175  -6.384
   10   HH11  ARG  11          HH11      ARG  11  -6.269   0.475  -9.414
   11   HH12  ARG  11          HH12      ARG  11  -5.822  -0.891 -10.379
   12   HH21  ARG  11          HH21      ARG  11  -5.160  -2.973  -7.651
   13   HH22  ARG  11          HH22      ARG  11  -5.192  -2.850  -9.378

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  12           H        GLN  12  -6.235   5.327  -6.099
    2    HA   GLN  12           HA       GLN  12  -4.463   7.664  -6.228
    3    HB2  GLN  12           HB2      GLN  12  -6.330   8.490  -7.930
    4    HB3  GLN  12           HB3      GLN  12  -4.911   7.602  -8.465
    5    HG2  GLN  12           HG2      GLN  12  -6.098   5.698  -8.909
    6    HG3  GLN  12           HG3      GLN  12  -7.357   6.078  -7.734
    7   HE21  GLN  12          HE21      GLN  12  -6.227   6.517 -10.970
    8   HE22  GLN  12          HE22      GLN  12  -7.644   7.289 -11.587

  No H/Q in entry =           8
  In of MODEL   11
    1    H    CYS  13           H        CYS  13  -7.382   6.213  -5.155
    2    HA   CYS  13           HA       CYS  13  -8.064   8.701  -3.756
    3    HB2  CYS  13           HB2      CYS  13  -9.808   7.067  -5.531
    4    HB3  CYS  13           HB3      CYS  13 -10.534   7.792  -4.101

  No H/Q in entry =           4
  In of MODEL   11
    1    H    LYS  14           H        LYS  14  -8.025   5.192  -3.762
    2    HA   LYS  14           HA       LYS  14  -8.435   5.271  -0.871
    3    HB2  LYS  14           HB2      LYS  14 -10.128   3.766  -2.833
    4    HB3  LYS  14           HB3      LYS  14  -9.879   3.127  -1.214
    5    HG2  LYS  14           HG2      LYS  14 -11.763   4.311  -0.821
    6    HG3  LYS  14           HG3      LYS  14 -10.590   5.603  -0.554
    7    HD2  LYS  14           HD2      LYS  14 -11.179   6.707  -2.441
    8    HD3  LYS  14           HD3      LYS  14 -11.485   5.220  -3.341
    9    HE2  LYS  14           HE2      LYS  14 -13.489   5.113  -1.542
   10    HE3  LYS  14           HE3      LYS  14 -13.307   6.859  -1.699
   11    HZ1  LYS  14           HZ1      LYS  14 -13.358   6.349  -4.212
   12    HZ3  LYS  14           HZ2      LYS  14 -14.812   6.351  -3.348
   13    HZ2  LYS  14           HZ3      LYS  14 -14.069   4.885  -3.747

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  15           H        LEU  15  -7.893   3.184   0.172
    2    HA   LEU  15           HA       LEU  15  -5.342   2.325  -0.484
    3    HB2  LEU  15           HB2      LEU  15  -5.800   0.417   1.056
    4    HB3  LEU  15           HB3      LEU  15  -6.168   1.995   1.725
    5    HG   LEU  15           HG       LEU  15  -8.598   1.389   0.799
    6   HD12  LEU  15          HD11      LEU  15  -8.837  -1.113   1.538
    7   HD11  LEU  15          HD12      LEU  15  -7.145  -1.198   1.050
    8   HD13  LEU  15          HD13      LEU  15  -8.374  -0.701  -0.113
    9   HD23  LEU  15          HD21      LEU  15  -8.028   0.009   3.326
   10   HD22  LEU  15          HD22      LEU  15  -9.158   1.316   2.972
   11   HD21  LEU  15          HD23      LEU  15  -7.452   1.674   3.239

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  16           H        LYS  16  -4.503   0.535  -1.538
    2    HA   LYS  16           HA       LYS  16  -6.151  -0.536  -3.644
    3    HB2  LYS  16           HB2      LYS  16  -3.266  -1.049  -2.900
    4    HB3  LYS  16           HB3      LYS  16  -4.057  -1.717  -4.321
    5    HG2  LYS  16           HG2      LYS  16  -4.572   0.741  -4.909
    6    HG3  LYS  16           HG3      LYS  16  -3.305   1.116  -3.740
    7    HD2  LYS  16           HD2      LYS  16  -1.948  -0.667  -5.099
    8    HD3  LYS  16           HD3      LYS  16  -3.114  -0.286  -6.369
    9    HE2  LYS  16           HE2      LYS  16  -2.221   1.741  -6.750
   10    HE3  LYS  16           HE3      LYS  16  -1.957   2.055  -5.035
   11    HZ2  LYS  16           HZ1      LYS  16  -0.232   0.480  -6.863
   12    HZ1  LYS  16           HZ2      LYS  16  -0.029   0.503  -5.184
   13    HZ3  LYS  16           HZ3      LYS  16   0.152   1.928  -6.076

  No H/Q in entry =          13
  In of MODEL   11
    1    HA   PRO  17           HA       PRO  17  -7.470  -4.426  -2.069
    2    HB2  PRO  17           HB2      PRO  17  -5.849  -5.755  -4.190
    3    HB3  PRO  17           HB3      PRO  17  -7.556  -5.964  -3.782
    4    HG2  PRO  17           HG2      PRO  17  -6.839  -4.563  -5.928
    5    HG3  PRO  17           HG3      PRO  17  -8.198  -4.043  -4.915
    6    HD2  PRO  17           HD2      PRO  17  -5.431  -2.943  -5.090
    7    HD3  PRO  17           HD3      PRO  17  -6.967  -2.099  -4.808

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  18           H        ALA  18  -6.790  -5.715  -0.455
    2    HA   ALA  18           HA       ALA  18  -4.286  -5.563   0.681
    3    HB3  ALA  18           HB1      ALA  18  -6.434  -7.649   0.877
    4    HB1  ALA  18           HB2      ALA  18  -5.993  -6.398   2.039
    5    HB2  ALA  18           HB3      ALA  18  -4.931  -7.783   1.790

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  19           H        GLY  19  -2.392  -6.075  -0.202
    2    HA3  GLY  19           HA2      GLY  19  -1.099  -8.247  -0.616
    3    HA2  GLY  19           HA3      GLY  19  -2.241  -8.454  -1.935

  No H/Q in entry =           3
  In of MODEL   11
    1    H    THR  20           H        THR  20  -1.903  -5.265  -1.939
    2    HA   THR  20           HA       THR  20  -0.117  -5.269  -4.171
    3    HB   THR  20           HB       THR  20  -1.046  -2.796  -2.733
    4    HG1  THR  20           HG1      THR  20  -2.986  -3.565  -3.001
    5   HG22  THR  20          HG21      THR  20  -1.422  -2.558  -5.474
    6   HG21  THR  20          HG22      THR  20   0.141  -3.353  -5.291
    7   HG23  THR  20          HG23      THR  20  -0.160  -1.807  -4.499

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR  21           H        THR  21   2.016  -5.320  -4.008
    2    HA   THR  21           HA       THR  21   3.412  -4.857  -1.595
    3    HB   THR  21           HB       THR  21   5.230  -4.628  -3.754
    4    HG1  THR  21           HG1      THR  21   3.391  -6.734  -4.192
    5   HG21  THR  21          HG21      THR  21   4.449  -6.934  -2.002
    6   HG23  THR  21          HG22      THR  21   5.825  -5.846  -1.821
    7   HG22  THR  21          HG23      THR  21   5.778  -6.994  -3.160

  No H/Q in entry =           7
  In of MODEL   11
    1    H    CYS  22           H        CYS  22   4.961  -3.230  -1.109
    2    HA   CYS  22           HA       CYS  22   4.153  -0.610  -2.092
    3    HB2  CYS  22           HB2      CYS  22   4.706  -1.494   0.423
    4    HB3  CYS  22           HB3      CYS  22   6.248  -0.771  -0.021

  No H/Q in entry =           4
  In of MODEL   11
    1    H    TRP  23           H        TRP  23   7.316  -2.010  -1.220
    2    HA   TRP  23           HA       TRP  23   8.546  -0.413  -3.335
    3    HB2  TRP  23           HB2      TRP  23   9.525  -0.286  -1.079
    4    HB3  TRP  23           HB3      TRP  23   9.829  -2.020  -1.118
    5    HD1  TRP  23           HD1      TRP  23  10.541   0.052  -4.237
    6    HE1  TRP  23           HE1      TRP  23  13.085   0.127  -4.621
    7    HE3  TRP  23           HE3      TRP  23  12.087  -2.116   0.128
    8    HZ2  TRP  23           HZ2      TRP  23  15.436  -0.632  -3.255
    9    HZ3  TRP  23           HZ3      TRP  23  14.501  -2.405   0.511
   10    HH2  TRP  23           HH2      TRP  23  16.139  -1.678  -1.146

  No H/Q in entry =          10
  In of MODEL   11
    1    H    ARG  24           H        ARG  24   9.215  -3.653  -2.056
    2    HA   ARG  24           HA       ARG  24   9.711  -5.627  -3.072
    3    HB2  ARG  24           HB2      ARG  24   7.423  -5.276  -4.014
    4    HB3  ARG  24           HB3      ARG  24   8.161  -4.512  -5.414
    5    HG2  ARG  24           HG2      ARG  24   9.512  -6.814  -5.433
    6    HG3  ARG  24           HG3      ARG  24   8.024  -7.362  -4.658
    7    HD2  ARG  24           HD2      ARG  24   6.739  -6.365  -6.528
    8    HD3  ARG  24           HD3      ARG  24   8.263  -5.956  -7.315
    9    HE   ARG  24           HE       ARG  24   8.412  -8.649  -6.831
   10   HH11  ARG  24          HH11      ARG  24   6.220  -6.550  -8.555
   11   HH12  ARG  24          HH12      ARG  24   5.775  -7.759  -9.712
   12   HH21  ARG  24          HH21      ARG  24   7.828 -10.240  -8.352
   13   HH22  ARG  24          HH22      ARG  24   6.687  -9.854  -9.597

  No H/Q in entry =          13
  In of MODEL   11
    1    H    THR  25           H        THR  25  11.910  -5.437  -3.263
    2    HA   THR  25           HA       THR  25  12.949  -4.274  -5.756
    3    HB   THR  25           HB       THR  25  14.814  -5.044  -3.581
    4    HG1  THR  25           HG1      THR  25  13.356  -4.090  -2.276
    5   HG22  THR  25          HG21      THR  25  15.694  -2.734  -4.105
    6   HG21  THR  25          HG22      THR  25  14.560  -2.718  -5.455
    7   HG23  THR  25          HG23      THR  25  15.828  -3.942  -5.383

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  26           H        SER  26  12.858  -7.168  -3.789
    2    HA   SER  26           HA       SER  26  13.351  -8.878  -5.967
    3    HB2  SER  26           HB2      SER  26  15.581  -9.768  -4.798
    4    HB3  SER  26           HB3      SER  26  15.615  -8.522  -6.046
    5    HG   SER  26           HG       SER  26  16.794  -8.124  -3.984

  No H/Q in entry =           5
  In of MODEL   11
    1    H    VAL  27           H        VAL  27  14.615  -9.202  -2.681
    2    HA   VAL  27           HA       VAL  27  12.892 -11.525  -2.286
    3    HB   VAL  27           HB       VAL  27  15.280 -11.763  -1.764
    4   HG13  VAL  27          HG11      VAL  27  15.829  -9.525  -1.086
    5   HG12  VAL  27          HG12      VAL  27  16.193 -10.624   0.244
    6   HG11  VAL  27          HG13      VAL  27  14.738  -9.630   0.295
    7   HG22  VAL  27          HG21      VAL  27  14.922 -13.125   0.017
    8   HG21  VAL  27          HG22      VAL  27  13.239 -12.780  -0.380
    9   HG23  VAL  27          HG23      VAL  27  14.037 -11.896   0.920

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  28           H        SER  28  13.391  -8.282  -1.085
    2    HA   SER  28           HA       SER  28  11.525  -8.647   1.110
    3    HB2  SER  28           HB2      SER  28  12.461  -5.927   0.369
    4    HB3  SER  28           HB3      SER  28  12.330  -6.681   1.958
    5    HG   SER  28           HG       SER  28  14.494  -6.394   0.472

  No H/Q in entry =           5
  In of MODEL   11
    1    H    SER  29           H        SER  29   9.417  -8.231   1.018
    2    HA   SER  29           HA       SER  29   8.402  -6.467  -1.099
    3    HB2  SER  29           HB2      SER  29   7.506  -9.276  -0.483
    4    HB3  SER  29           HB3      SER  29   6.428  -8.119  -1.263
    5    HG   SER  29           HG       SER  29   8.876  -9.165  -2.206

  No H/Q in entry =           5
  In of MODEL   11
    1    H    HIS  30           H        HIS  30   6.963  -5.016  -0.401
    2    HA   HIS  30           HA       HIS  30   5.946  -5.311   2.340
    3    HB2  HIS  30           HB2      HIS  30   6.306  -2.844   0.628
    4    HB3  HIS  30           HB3      HIS  30   5.587  -2.843   2.235
    5    HD1  HIS  30           HD1      HIS  30   7.188  -2.190   3.988
    6    HD2  HIS  30           HD2      HIS  30   9.081  -4.095   0.818
    7    HE1  HIS  30           HE1      HIS  30   9.634  -2.193   4.571
    8    HE2  HIS  30           HE2      HIS  30  10.749  -3.430   2.680

  No H/Q in entry =           8
  In of MODEL   11
    1    H    TYR  31           H        TYR  31   4.258  -6.745   1.546
    2    HA   TYR  31           HA       TYR  31   2.318  -5.949  -0.334
    3    HB2  TYR  31           HB2      TYR  31   2.076  -7.892   1.972
    4    HB3  TYR  31           HB3      TYR  31   0.931  -7.750   0.643
    5    HD1  TYR  31           HD1      TYR  31   2.088  -7.929  -1.768
    6    HD2  TYR  31           HD2      TYR  31   3.654  -9.564   1.833
    7    HE1  TYR  31           HE1      TYR  31   3.405  -9.539  -3.079
    8    HE2  TYR  31           HE2      TYR  31   4.975 -11.179   0.533
    9    HH   TYR  31           HH       TYR  31   4.421 -11.883  -2.633

  No H/Q in entry =           9
  In of MODEL   11
    1    H    CYS  32           H        CYS  32   0.360  -4.934  -0.134
    2    HA   CYS  32           HA       CYS  32   0.036  -3.263   2.214
    3    HB2  CYS  32           HB2      CYS  32  -0.229  -2.447  -0.182
    4    HB3  CYS  32           HB3      CYS  32  -1.746  -3.338  -0.220

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR  33           H        THR  33  -1.472  -3.495   3.754
    2    HA   THR  33           HA       THR  33  -2.944  -5.952   3.889
    3    HB   THR  33           HB       THR  33  -2.053  -5.150   5.937
    4    HG1  THR  33           HG1      THR  33  -4.802  -4.479   6.030
    5   HG23  THR  33          HG21      THR  33  -1.692  -2.978   6.189
    6   HG22  THR  33          HG22      THR  33  -3.387  -2.853   6.660
    7   HG21  THR  33          HG23      THR  33  -2.912  -2.556   4.987

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  34           H        GLY  34  -3.583  -3.081   2.338
    2    HA3  GLY  34           HA2      GLY  34  -5.477  -2.233   1.361
    3    HA2  GLY  34           HA3      GLY  34  -6.235  -3.781   1.700

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ARG  35           H        ARG  35  -4.903  -1.807   4.245
    2    HA   ARG  35           HA       ARG  35  -7.630  -1.377   5.254
    3    HB2  ARG  35           HB2      ARG  35  -5.878  -2.659   6.617
    4    HB3  ARG  35           HB3      ARG  35  -5.094  -1.104   6.856
    5    HG2  ARG  35           HG2      ARG  35  -6.858  -0.271   8.126
    6    HG3  ARG  35           HG3      ARG  35  -7.983  -1.495   7.535
    7    HD2  ARG  35           HD2      ARG  35  -6.838  -3.213   8.779
    8    HD3  ARG  35           HD3      ARG  35  -5.587  -2.072   9.272
    9    HE   ARG  35           HE       ARG  35  -8.175  -2.411  10.449
   10   HH11  ARG  35          HH11      ARG  35  -5.599  -0.126   9.887
   11   HH12  ARG  35          HH12      ARG  35  -6.007   0.860  11.251
   12   HH21  ARG  35          HH21      ARG  35  -8.713  -1.116  12.244
   13   HH22  ARG  35          HH22      ARG  35  -7.775   0.298  12.589

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  36           H        SER  36  -4.670   0.233   4.347
    2    HA   SER  36           HA       SER  36  -5.995   2.742   4.094
    3    HB2  SER  36           HB2      SER  36  -4.605   3.988   5.737
    4    HB3  SER  36           HB3      SER  36  -5.689   2.829   6.506
    5    HG   SER  36           HG       SER  36  -2.899   2.697   6.161

  No H/Q in entry =           5
  In of MODEL   11
    1    H    CYS  37           H        CYS  37  -4.485   4.469   3.356
    2    HA   CYS  37           HA       CYS  37  -2.691   3.407   1.410
    3    HB2  CYS  37           HB2      CYS  37  -4.080   5.500   1.146
    4    HB3  CYS  37           HB3      CYS  37  -2.956   6.298   2.241

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLU  38           H        GLU  38  -2.343   4.568   4.647
    2    HA   GLU  38           HA       GLU  38   0.359   5.338   4.601
    3    HB2  GLU  38           HB2      GLU  38  -1.562   5.438   6.471
    4    HB3  GLU  38           HB3      GLU  38  -0.697   4.018   7.043
    5    HG2  GLU  38           HG2      GLU  38   1.355   5.731   6.601
    6    HG3  GLU  38           HG3      GLU  38   0.075   6.845   7.080

  No H/Q in entry =           6
  In of MODEL   11
    1    H    CYS  39           H        CYS  39   1.446   3.798   3.309
    2    HA   CYS  39           HA       CYS  39   1.485   1.045   3.697
    3    HB2  CYS  39           HB2      CYS  39   2.719   2.801   1.982
    4    HB3  CYS  39           HB3      CYS  39   4.076   2.181   2.917

  No H/Q in entry =           4
  In of MODEL   11
    1    HA   PRO  40           HA       PRO  40   3.274   1.018   7.859
    2    HB2  PRO  40           HB2      PRO  40   3.379  -1.880   7.181
    3    HB3  PRO  40           HB3      PRO  40   2.754  -1.085   8.630
    4    HG2  PRO  40           HG2      PRO  40   1.090  -2.065   6.799
    5    HG3  PRO  40           HG3      PRO  40   0.741  -0.531   7.618
    6    HD2  PRO  40           HD2      PRO  40   1.760  -1.017   4.853
    7    HD3  PRO  40           HD3      PRO  40   0.634   0.224   5.440

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  41           H        SER  41   5.241  -0.219   8.781
    2    HA   SER  41           HA       SER  41   7.373  -0.238   6.745
    3    HB2  SER  41           HB2      SER  41   7.250   0.962   9.471
    4    HB3  SER  41           HB3      SER  41   8.791   0.289   8.941
    5    HG   SER  41           HG       SER  41   8.852   1.720   7.278

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  42           H        TYR  42   5.835  -2.521   7.448
    2    HA   TYR  42           HA       TYR  42   7.822  -4.132   8.913
    3    HB2  TYR  42           HB2      TYR  42   4.927  -4.875   8.503
    4    HB3  TYR  42           HB3      TYR  42   6.078  -5.586   9.629
    5    HD1  TYR  42           HD1      TYR  42   6.966  -4.063  11.510
    6    HD2  TYR  42           HD2      TYR  42   3.506  -3.164   9.204
    7    HE1  TYR  42           HE1      TYR  42   6.201  -2.525  13.269
    8    HE2  TYR  42           HE2      TYR  42   2.731  -1.622  10.956
    9    HH   TYR  42           HH       TYR  42   4.700  -0.518  13.435

  No H/Q in entry =           9
  In of MODEL   11
    1    HA   PRO  43           HA       PRO  43   8.315  -5.435   4.506
    2    HB2  PRO  43           HB2      PRO  43  10.640  -6.705   5.872
    3    HB3  PRO  43           HB3      PRO  43  10.578  -5.823   4.343
    4    HG2  PRO  43           HG2      PRO  43  11.586  -4.681   6.525
    5    HG3  PRO  43           HG3      PRO  43  10.596  -3.750   5.385
    6    HD2  PRO  43           HD2      PRO  43   9.879  -4.844   8.067
    7    HD3  PRO  43           HD3      PRO  43   9.366  -3.333   7.289

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  44           H        GLY  44   7.211  -7.148   3.810
    2    HA3  GLY  44           HA2      GLY  44   7.472  -9.685   5.283
    3    HA2  GLY  44           HA3      GLY  44   5.876  -9.071   4.878

  No H/Q in entry =           3
  In of MODEL   12
    1    H1   ALA   1           H1       ALA   1 -14.020  16.915  -3.527
    2    H2   ALA   1           H3       ALA   1 -12.924  16.288  -4.687
    3    H3   ALA   1           H2       ALA   1 -14.606  15.987  -4.847
    4    HA   ALA   1           HA       ALA   1 -14.663  14.515  -3.154
    5    HB1  ALA   1           HB1      ALA   1 -13.637  13.261  -4.758
    6    HB2  ALA   1           HB2      ALA   1 -12.412  13.170  -3.492
    7    HB3  ALA   1           HB3      ALA   1 -12.218  14.306  -4.827

  No H/Q in entry =           7
  In of MODEL   12
    1    H    MET   2           H        MET   2 -13.538  13.411  -1.326
    2    HA   MET   2           HA       MET   2 -11.343  14.612  -0.011
    3    HB2  MET   2           HB2      MET   2 -13.496  16.196   0.262
    4    HB3  MET   2           HB3      MET   2 -13.783  15.100   1.606
    5    HG2  MET   2           HG2      MET   2 -12.590  17.014   2.398
    6    HG3  MET   2           HG3      MET   2 -11.526  15.610   2.459
    7    HE3  MET   2           HE1      MET   2 -10.227  18.825   2.431
    8    HE2  MET   2           HE2      MET   2  -8.804  18.073   1.711
    9    HE1  MET   2           HE3      MET   2  -9.735  17.208   2.933

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP   3           H        ASP   3 -10.831  13.580   2.003
    2    HA   ASP   3           HA       ASP   3 -10.631  11.772   3.367
    3    HB2  ASP   3           HB2      ASP   3 -13.163  12.584   3.698
    4    HB3  ASP   3           HB3      ASP   3 -13.479  10.984   3.032

  No H/Q in entry =           4
  In of MODEL   12
    1    H    CYS   4           H        CYS   4 -10.230  11.453   0.521
    2    HA   CYS   4           HA       CYS   4 -11.219   8.772  -0.053
    3    HB2  CYS   4           HB2      CYS   4 -10.414  11.028  -1.627
    4    HB3  CYS   4           HB3      CYS   4  -9.428   9.641  -2.075

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR   5           H        THR   5  -8.301  10.413   0.903
    2    HA   THR   5           HA       THR   5  -6.252   9.662   1.544
    3    HB   THR   5           HB       THR   5  -7.067   6.818   1.642
    4    HG1  THR   5           HG1      THR   5  -8.903   7.250   2.538
    5   HG23  THR   5          HG21      THR   5  -5.652   6.708   3.347
    6   HG22  THR   5          HG22      THR   5  -6.341   8.135   4.123
    7   HG21  THR   5          HG23      THR   5  -5.122   8.319   2.861

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR   6           H        THR   6  -4.854   9.858  -0.095
    2    HA   THR   6           HA       THR   6  -4.676   7.628  -2.011
    3    HB   THR   6           HB       THR   6  -4.144   9.133  -3.784
    4    HG1  THR   6           HG1      THR   6  -4.165  11.193  -1.836
    5   HG21  THR   6          HG21      THR   6  -6.613   9.109  -2.764
    6   HG23  THR   6          HG22      THR   6  -6.157  10.053  -4.182
    7   HG22  THR   6          HG23      THR   6  -6.243  10.825  -2.599

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY   7           H        GLY   7  -2.694   6.764  -2.331
    2    HA3  GLY   7           HA2      GLY   7  -0.248   8.112  -1.923
    3    HA2  GLY   7           HA3      GLY   7  -0.643   7.190  -0.480

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO   8           HA       PRO   8   1.933   4.490  -3.293
    2    HB2  PRO   8           HB2      PRO   8   2.476   3.360  -0.593
    3    HB3  PRO   8           HB3      PRO   8   3.596   3.700  -1.917
    4    HG2  PRO   8           HG2      PRO   8   3.499   5.287   0.218
    5    HG3  PRO   8           HG3      PRO   8   3.719   5.960  -1.408
    6    HD2  PRO   8           HD2      PRO   8   1.279   5.918   0.313
    7    HD3  PRO   8           HD3      PRO   8   1.858   7.178  -0.795

  No H/Q in entry =           7
  In of MODEL   12
    1    H    CYS   9           H        CYS   9   0.494   3.190  -0.294
    2    HA   CYS   9           HA       CYS   9  -0.511   0.903  -1.788
    3    HB2  CYS   9           HB2      CYS   9  -0.235   1.548   1.132
    4    HB3  CYS   9           HB3      CYS   9  -1.270   0.225   0.605

  No H/Q in entry =           4
  In of MODEL   12
    1    H    CYS  10           H        CYS  10  -1.825   3.027  -2.693
    2    HA   CYS  10           HA       CYS  10  -4.531   2.564  -1.722
    3    HB2  CYS  10           HB2      CYS  10  -3.051   5.066  -1.350
    4    HB3  CYS  10           HB3      CYS  10  -4.606   5.284  -2.148

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ARG  11           H        ARG  11  -6.167   3.143  -3.245
    2    HA   ARG  11           HA       ARG  11  -5.172   3.099  -5.993
    3    HB2  ARG  11           HB2      ARG  11  -7.717   2.303  -4.658
    4    HB3  ARG  11           HB3      ARG  11  -7.781   2.768  -6.352
    5    HG2  ARG  11           HG2      ARG  11  -5.723   1.063  -6.452
    6    HG3  ARG  11           HG3      ARG  11  -6.601   0.381  -5.081
    7    HD2  ARG  11           HD2      ARG  11  -8.635   0.801  -6.806
    8    HD3  ARG  11           HD3      ARG  11  -7.321   0.485  -7.938
    9    HE   ARG  11           HE       ARG  11  -7.325  -1.709  -7.281
   10   HH11  ARG  11          HH11      ARG  11  -9.135   0.170  -4.963
   11   HH12  ARG  11          HH12      ARG  11  -9.723  -1.218  -4.110
   12   HH21  ARG  11          HH21      ARG  11  -8.097  -3.535  -6.160
   13   HH22  ARG  11          HH22      ARG  11  -9.133  -3.321  -4.789

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  12           H        GLN  12  -5.030   5.550  -4.490
    2    HA   GLN  12           HA       GLN  12  -5.328   7.774  -4.875
    3    HB2  GLN  12           HB2      GLN  12  -5.479   6.769  -7.334
    4    HB3  GLN  12           HB3      GLN  12  -7.143   7.316  -7.186
    5    HG2  GLN  12           HG2      GLN  12  -6.077   9.115  -8.171
    6    HG3  GLN  12           HG3      GLN  12  -6.124   9.561  -6.466
    7   HE21  GLN  12          HE21      GLN  12  -4.291  10.112  -8.862
    8   HE22  GLN  12          HE22      GLN  12  -2.707   9.866  -8.218

  No H/Q in entry =           8
  In of MODEL   12
    1    H    CYS  13           H        CYS  13  -7.529   5.795  -3.736
    2    HA   CYS  13           HA       CYS  13  -9.166   7.759  -2.622
    3    HB2  CYS  13           HB2      CYS  13 -10.009   6.829  -5.255
    4    HB3  CYS  13           HB3      CYS  13 -11.250   6.594  -4.029

  No H/Q in entry =           4
  In of MODEL   12
    1    H    LYS  14           H        LYS  14  -8.792   4.401  -3.589
    2    HA   LYS  14           HA       LYS  14 -10.156   3.618  -1.098
    3    HB2  LYS  14           HB2      LYS  14 -11.110   3.000  -3.522
    4    HB3  LYS  14           HB3      LYS  14  -9.976   1.670  -3.334
    5    HG2  LYS  14           HG2      LYS  14 -11.899   0.761  -2.481
    6    HG3  LYS  14           HG3      LYS  14 -11.126   1.375  -1.018
    7    HD2  LYS  14           HD2      LYS  14 -12.543   3.547  -1.772
    8    HD3  LYS  14           HD3      LYS  14 -13.586   2.261  -2.382
    9    HE2  LYS  14           HE2      LYS  14 -14.420   2.288  -0.291
   10    HE3  LYS  14           HE3      LYS  14 -13.006   1.302   0.075
   11    HZ2  LYS  14           HZ1      LYS  14 -13.567   3.451   1.445
   12    HZ1  LYS  14           HZ2      LYS  14 -12.719   4.212   0.195
   13    HZ3  LYS  14           HZ3      LYS  14 -11.965   3.015   1.121

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  15           H        LEU  15  -9.132   2.197   0.225
    2    HA   LEU  15           HA       LEU  15  -6.386   1.974   0.231
    3    HB2  LEU  15           HB2      LEU  15  -8.326  -0.025   1.395
    4    HB3  LEU  15           HB3      LEU  15  -6.654   0.192   1.874
    5    HG   LEU  15           HG       LEU  15  -8.725   2.363   2.155
    6   HD11  LEU  15          HD11      LEU  15  -8.043   0.077   3.946
    7   HD13  LEU  15          HD12      LEU  15  -9.612   0.797   3.587
    8   HD12  LEU  15          HD13      LEU  15  -8.480   1.635   4.648
    9   HD21  LEU  15          HD21      LEU  15  -5.909   1.960   3.097
   10   HD23  LEU  15          HD22      LEU  15  -7.009   3.050   3.942
   11   HD22  LEU  15          HD23      LEU  15  -6.611   3.336   2.248

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  16           H        LYS  16  -4.954   0.835  -0.905
    2    HA   LYS  16           HA       LYS  16  -5.584  -0.693  -3.116
    3    HB2  LYS  16           HB2      LYS  16  -3.167  -0.211  -1.505
    4    HB3  LYS  16           HB3      LYS  16  -3.151  -1.722  -2.405
    5    HG2  LYS  16           HG2      LYS  16  -4.081   0.402  -4.090
    6    HG3  LYS  16           HG3      LYS  16  -2.547   0.849  -3.342
    7    HD2  LYS  16           HD2      LYS  16  -1.393  -0.656  -4.543
    8    HD3  LYS  16           HD3      LYS  16  -2.623  -1.903  -4.333
    9    HE2  LYS  16           HE2      LYS  16  -3.811  -1.230  -6.196
   10    HE3  LYS  16           HE3      LYS  16  -3.156   0.406  -6.150
   11    HZ2  LYS  16           HZ1      LYS  16  -1.926  -2.054  -7.199
   12    HZ1  LYS  16           HZ2      LYS  16  -0.940  -0.785  -6.670
   13    HZ3  LYS  16           HZ3      LYS  16  -2.050  -0.528  -7.920

  No H/Q in entry =          13
  In of MODEL   12
    1    HA   PRO  17           HA       PRO  17  -6.895  -4.695  -1.846
    2    HB2  PRO  17           HB2      PRO  17  -5.248  -6.303  -3.408
    3    HB3  PRO  17           HB3      PRO  17  -6.778  -5.593  -3.930
    4    HG2  PRO  17           HG2      PRO  17  -3.987  -4.650  -4.409
    5    HG3  PRO  17           HG3      PRO  17  -5.386  -4.621  -5.498
    6    HD2  PRO  17           HD2      PRO  17  -4.548  -2.406  -4.246
    7    HD3  PRO  17           HD3      PRO  17  -6.277  -2.722  -4.502

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  18           H        ALA  18  -6.418  -5.543   0.069
    2    HA   ALA  18           HA       ALA  18  -4.076  -5.401   1.464
    3    HB3  ALA  18           HB1      ALA  18  -5.912  -7.770   1.696
    4    HB1  ALA  18           HB2      ALA  18  -6.344  -6.166   2.287
    5    HB2  ALA  18           HB3      ALA  18  -4.947  -7.006   2.959

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  19           H        GLY  19  -2.105  -6.166   1.129
    2    HA3  GLY  19           HA2      GLY  19  -0.644  -8.086   0.958
    3    HA2  GLY  19           HA3      GLY  19  -1.815  -8.816  -0.131

  No H/Q in entry =           3
  In of MODEL   12
    1    H    THR  20           H        THR  20  -1.070  -5.458  -0.483
    2    HA   THR  20           HA       THR  20   0.348  -6.075  -2.981
    3    HB   THR  20           HB       THR  20  -1.110  -3.558  -2.151
    4    HG1  THR  20           HG1      THR  20  -1.807  -5.511  -4.084
    5   HG21  THR  20          HG21      THR  20   0.837  -3.370  -3.837
    6   HG23  THR  20          HG22      THR  20  -0.719  -2.631  -4.220
    7   HG22  THR  20          HG23      THR  20  -0.274  -4.176  -4.946

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR  21           H        THR  21   2.480  -5.908  -2.840
    2    HA   THR  21           HA       THR  21   3.933  -4.780  -0.775
    3    HB   THR  21           HB       THR  21   5.067  -6.277  -2.199
    4    HG1  THR  21           HG1      THR  21   6.802  -5.136  -2.067
    5   HG22  THR  21          HG21      THR  21   5.322  -4.809  -4.641
    6   HG21  THR  21          HG22      THR  21   3.621  -5.106  -4.279
    7   HG23  THR  21          HG23      THR  21   4.752  -6.456  -4.375

  No H/Q in entry =           7
  In of MODEL   12
    1    H    CYS  22           H        CYS  22   5.273  -2.881  -0.688
    2    HA   CYS  22           HA       CYS  22   4.022  -0.593  -2.044
    3    HB2  CYS  22           HB2      CYS  22   3.931  -0.530   0.404
    4    HB3  CYS  22           HB3      CYS  22   5.682  -0.682   0.484

  No H/Q in entry =           4
  In of MODEL   12
    1    H    TRP  23           H        TRP  23   7.123  -2.090  -1.288
    2    HA   TRP  23           HA       TRP  23   8.320  -0.601  -3.502
    3    HB2  TRP  23           HB2      TRP  23   8.846   0.598  -1.365
    4    HB3  TRP  23           HB3      TRP  23   9.673  -0.855  -0.810
    5    HD1  TRP  23           HD1      TRP  23   9.899   1.480  -3.917
    6    HE1  TRP  23           HE1      TRP  23  12.389   1.778  -4.492
    7    HE3  TRP  23           HE3      TRP  23  11.930  -1.533  -0.320
    8    HZ2  TRP  23           HZ2      TRP  23  14.885   0.858  -3.546
    9    HZ3  TRP  23           HZ3      TRP  23  14.377  -1.769  -0.224
   10    HH2  TRP  23           HH2      TRP  23  15.823  -0.598  -1.805

  No H/Q in entry =          10
  In of MODEL   12
    1    H    ARG  24           H        ARG  24   8.325  -2.506  -4.701
    2    HA   ARG  24           HA       ARG  24  10.090  -4.638  -3.689
    3    HB2  ARG  24           HB2      ARG  24   7.527  -4.972  -4.406
    4    HB3  ARG  24           HB3      ARG  24   8.280  -5.169  -5.983
    5    HG2  ARG  24           HG2      ARG  24   9.819  -6.858  -4.822
    6    HG3  ARG  24           HG3      ARG  24   8.632  -6.829  -3.516
    7    HD2  ARG  24           HD2      ARG  24   6.887  -7.526  -5.033
    8    HD3  ARG  24           HD3      ARG  24   7.995  -7.433  -6.401
    9    HE   ARG  24           HE       ARG  24   8.886  -9.224  -4.347
   10   HH11  ARG  24          HH11      ARG  24   6.846  -8.919  -7.162
   11   HH12  ARG  24          HH12      ARG  24   6.879 -10.612  -7.524
   12   HH21  ARG  24          HH21      ARG  24   8.931 -11.451  -4.822
   13   HH22  ARG  24          HH22      ARG  24   8.063 -12.050  -6.195

  No H/Q in entry =          13
  In of MODEL   12
    1    H    THR  25           H        THR  25  11.428  -5.731  -5.286
    2    HA   THR  25           HA       THR  25  11.852  -4.529  -7.852
    3    HB   THR  25           HB       THR  25  14.310  -4.379  -6.202
    4    HG1  THR  25           HG1      THR  25  12.331  -2.357  -6.062
    5   HG23  THR  25          HG21      THR  25  14.864  -2.542  -7.557
    6   HG22  THR  25          HG22      THR  25  13.204  -2.359  -8.123
    7   HG21  THR  25          HG23      THR  25  14.163  -3.748  -8.635

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  26           H        SER  26  13.226  -6.558  -5.306
    2    HA   SER  26           HA       SER  26  13.285  -8.882  -6.865
    3    HB2  SER  26           HB2      SER  26  15.759  -7.210  -6.924
    4    HB3  SER  26           HB3      SER  26  15.936  -8.963  -6.844
    5    HG   SER  26           HG       SER  26  15.809  -7.953  -9.007

  No H/Q in entry =           5
  In of MODEL   12
    1    H    VAL  27           H        VAL  27  14.823  -7.089  -4.254
    2    HA   VAL  27           HA       VAL  27  14.931  -9.570  -2.671
    3    HB   VAL  27           HB       VAL  27  17.116  -8.482  -2.984
    4   HG13  VAL  27          HG11      VAL  27  16.389  -6.180  -3.218
    5   HG12  VAL  27          HG12      VAL  27  17.571  -6.317  -1.916
    6   HG11  VAL  27          HG13      VAL  27  15.856  -6.155  -1.537
    7   HG22  VAL  27          HG21      VAL  27  17.352  -9.588  -1.042
    8   HG21  VAL  27          HG22      VAL  27  15.859  -8.933  -0.370
    9   HG23  VAL  27          HG23      VAL  27  17.341  -7.977  -0.324

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  28           H        SER  28  13.816  -6.251  -2.745
    2    HA   SER  28           HA       SER  28  12.817  -6.313  -0.039
    3    HB2  SER  28           HB2      SER  28  13.574  -4.273  -1.630
    4    HB3  SER  28           HB3      SER  28  11.836  -4.243  -1.926
    5    HG   SER  28           HG       SER  28  11.534  -3.493   0.015

  No H/Q in entry =           5
  In of MODEL   12
    1    H    SER  29           H        SER  29  10.596  -6.166   0.550
    2    HA   SER  29           HA       SER  29   8.449  -6.404  -1.240
    3    HB2  SER  29           HB2      SER  29   7.919  -8.871  -0.484
    4    HB3  SER  29           HB3      SER  29   8.974  -8.572  -1.864
    5    HG   SER  29           HG       SER  29  10.641  -9.281  -0.760

  No H/Q in entry =           5
  In of MODEL   12
    1    H    HIS  30           H        HIS  30   7.077  -5.264  -0.036
    2    HA   HIS  30           HA       HIS  30   6.546  -6.190   2.705
    3    HB2  HIS  30           HB2      HIS  30   6.928  -3.355   1.749
    4    HB3  HIS  30           HB3      HIS  30   6.099  -3.737   3.254
    5    HD1  HIS  30           HD1      HIS  30   7.565  -3.742   5.239
    6    HD2  HIS  30           HD2      HIS  30   9.679  -4.578   1.761
    7    HE1  HIS  30           HE1      HIS  30   9.969  -3.946   5.946
    8    HE2  HIS  30           HE2      HIS  30  11.240  -4.367   3.812

  No H/Q in entry =           8
  In of MODEL   12
    1    H    TYR  31           H        TYR  31   4.782  -7.355   1.733
    2    HA   TYR  31           HA       TYR  31   2.739  -6.199   0.217
    3    HB2  TYR  31           HB2      TYR  31   2.794  -8.576   2.068
    4    HB3  TYR  31           HB3      TYR  31   1.337  -8.114   1.194
    5    HD1  TYR  31           HD1      TYR  31   3.808 -10.408   1.118
    6    HD2  TYR  31           HD2      TYR  31   2.102  -7.467  -1.438
    7    HE1  TYR  31           HE1      TYR  31   4.597 -11.665  -0.843
    8    HE2  TYR  31           HE2      TYR  31   2.885  -8.715  -3.407
    9    HH   TYR  31           HH       TYR  31   4.687 -10.371  -3.940

  No H/Q in entry =           9
  In of MODEL   12
    1    H    CYS  32           H        CYS  32   1.423  -4.592   0.734
    2    HA   CYS  32           HA       CYS  32   1.099  -3.625   3.375
    3    HB2  CYS  32           HB2      CYS  32   0.083  -2.933   0.698
    4    HB3  CYS  32           HB3      CYS  32  -0.991  -2.506   2.025

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR  33           H        THR  33  -1.223  -3.189   4.212
    2    HA   THR  33           HA       THR  33  -2.610  -5.780   4.274
    3    HB   THR  33           HB       THR  33  -1.920  -5.287   6.458
    4    HG1  THR  33           HG1      THR  33  -4.506  -4.141   6.375
    5   HG23  THR  33          HG21      THR  33  -1.200  -3.000   6.202
    6   HG22  THR  33          HG22      THR  33  -2.289  -3.141   7.583
    7   HG21  THR  33          HG23      THR  33  -2.874  -2.461   6.064

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  34           H        GLY  34  -2.897  -3.058   2.608
    2    HA3  GLY  34           HA2      GLY  34  -4.626  -1.963   1.573
    3    HA2  GLY  34           HA3      GLY  34  -5.562  -3.417   1.881

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ARG  35           H        ARG  35  -4.194  -1.544   4.484
    2    HA   ARG  35           HA       ARG  35  -6.919  -0.834   5.320
    3    HB2  ARG  35           HB2      ARG  35  -4.372  -1.363   6.803
    4    HB3  ARG  35           HB3      ARG  35  -5.608  -0.354   7.543
    5    HG2  ARG  35           HG2      ARG  35  -6.511  -2.933   6.426
    6    HG3  ARG  35           HG3      ARG  35  -5.488  -3.003   7.862
    7    HD2  ARG  35           HD2      ARG  35  -7.176  -1.084   8.638
    8    HD3  ARG  35           HD3      ARG  35  -8.237  -1.950   7.528
    9    HE   ARG  35           HE       ARG  35  -8.349  -3.671   9.032
   10   HH11  ARG  35          HH11      ARG  35  -5.669  -1.604   9.884
   11   HH12  ARG  35          HH12      ARG  35  -5.365  -2.408  11.387
   12   HH21  ARG  35          HH21      ARG  35  -7.950  -4.729  11.009
   13   HH22  ARG  35          HH22      ARG  35  -6.659  -4.182  12.026

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  36           H        SER  36  -3.754   0.485   4.620
    2    HA   SER  36           HA       SER  36  -4.925   3.159   4.544
    3    HB2  SER  36           HB2      SER  36  -2.607   2.331   6.270
    4    HB3  SER  36           HB3      SER  36  -2.730   3.984   5.667
    5    HG   SER  36           HG       SER  36  -4.324   2.633   7.516

  No H/Q in entry =           5
  In of MODEL   12
    1    H    CYS  37           H        CYS  37  -3.410   4.745   3.497
    2    HA   CYS  37           HA       CYS  37  -2.443   3.642   1.056
    3    HB2  CYS  37           HB2      CYS  37  -2.013   6.431   2.144
    4    HB3  CYS  37           HB3      CYS  37  -1.860   5.923   0.466

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLU  38           H        GLU  38  -0.975   4.592   4.073
    2    HA   GLU  38           HA       GLU  38   1.706   4.725   3.171
    3    HB2  GLU  38           HB2      GLU  38   2.288   4.505   5.572
    4    HB3  GLU  38           HB3      GLU  38   1.075   5.742   5.271
    5    HG2  GLU  38           HG2      GLU  38  -0.514   3.624   5.763
    6    HG3  GLU  38           HG3      GLU  38   0.879   3.217   6.764

  No H/Q in entry =           6
  In of MODEL   12
    1    H    CYS  39           H        CYS  39   3.397   3.178   4.173
    2    HA   CYS  39           HA       CYS  39   2.509   0.399   4.182
    3    HB2  CYS  39           HB2      CYS  39   4.450  -0.140   2.594
    4    HB3  CYS  39           HB3      CYS  39   3.003   0.570   1.888

  No H/Q in entry =           4
  In of MODEL   12
    1    HA   PRO  40           HA       PRO  40   5.663   1.150   7.436
    2    HB2  PRO  40           HB2      PRO  40   4.671  -0.717   9.144
    3    HB3  PRO  40           HB3      PRO  40   4.045   0.933   9.051
    4    HG2  PRO  40           HG2      PRO  40   2.967  -1.574   7.820
    5    HG3  PRO  40           HG3      PRO  40   2.095  -0.265   8.640
    6    HD2  PRO  40           HD2      PRO  40   2.204  -0.468   5.946
    7    HD3  PRO  40           HD3      PRO  40   2.139   1.099   6.779

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  41           H        SER  41   6.987  -0.570   8.683
    2    HA   SER  41           HA       SER  41   8.040  -2.406   6.707
    3    HB2  SER  41           HB2      SER  41   8.963  -1.683   9.497
    4    HB3  SER  41           HB3      SER  41   9.806  -2.818   8.443
    5    HG   SER  41           HG       SER  41   9.404  -0.044   8.082

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  42           H        TYR  42   5.684  -3.401   7.088
    2    HA   TYR  42           HA       TYR  42   5.934  -5.522   9.115
    3    HB2  TYR  42           HB2      TYR  42   3.614  -4.024   8.012
    4    HB3  TYR  42           HB3      TYR  42   3.358  -5.719   8.411
    5    HD1  TYR  42           HD1      TYR  42   5.331  -3.012  10.071
    6    HD2  TYR  42           HD2      TYR  42   2.185  -5.858  10.396
    7    HE1  TYR  42           HE1      TYR  42   5.031  -2.403  12.435
    8    HE2  TYR  42           HE2      TYR  42   1.877  -5.257  12.760
    9    HH   TYR  42           HH       TYR  42   3.292  -4.248  14.603

  No H/Q in entry =           9
  In of MODEL   12
    1    HA   PRO  43           HA       PRO  43   6.583  -7.740   5.135
    2    HB2  PRO  43           HB2      PRO  43   8.181  -9.660   6.197
    3    HB3  PRO  43           HB3      PRO  43   8.789  -8.083   5.681
    4    HG2  PRO  43           HG2      PRO  43   8.092  -9.038   8.432
    5    HG3  PRO  43           HG3      PRO  43   9.490  -8.085   7.899
    6    HD2  PRO  43           HD2      PRO  43   7.335  -6.963   9.089
    7    HD3  PRO  43           HD3      PRO  43   8.291  -6.116   7.857

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  44           H        GLY  44   5.731  -9.702   4.414
    2    HA3  GLY  44           HA2      GLY  44   3.517 -10.709   5.858
    3    HA2  GLY  44           HA3      GLY  44   4.187 -11.403   4.389

  No H/Q in entry =           3
  In of MODEL   13
    1    H1   ALA   1           H1       ALA   1 -10.958   7.841   8.266
    2    H2   ALA   1           H3       ALA   1 -12.016   9.126   8.675
    3    H3   ALA   1           H2       ALA   1 -12.589   7.509   8.687
    4    HA   ALA   1           HA       ALA   1 -12.254   7.342   6.349
    5    HB1  ALA   1           HB1      ALA   1 -14.394   8.181   7.372
    6    HB3  ALA   1           HB2      ALA   1 -14.126   8.640   5.690
    7    HB2  ALA   1           HB3      ALA   1 -13.852   9.812   6.978

  No H/Q in entry =           7
  In of MODEL   13
    1    H    MET   2           H        MET   2 -12.020   8.564   4.311
    2    HA   MET   2           HA       MET   2 -10.390  10.980   4.503
    3    HB2  MET   2           HB2      MET   2  -9.474   8.337   3.469
    4    HB3  MET   2           HB3      MET   2  -8.937   9.784   2.628
    5    HG2  MET   2           HG2      MET   2  -8.413  10.491   5.172
    6    HG3  MET   2           HG3      MET   2  -8.196   8.745   5.275
    7    HE3  MET   2           HE1      MET   2  -5.717   7.917   5.123
    8    HE2  MET   2           HE2      MET   2  -5.026   7.976   3.502
    9    HE1  MET   2           HE3      MET   2  -6.669   7.382   3.738

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP   3           H        ASP   3  -9.739  11.512   2.018
    2    HA   ASP   3           HA       ASP   3 -12.320  11.673   0.649
    3    HB2  ASP   3           HB2      ASP   3  -9.810  13.301   0.584
    4    HB3  ASP   3           HB3      ASP   3 -10.892  13.338  -0.804

  No H/Q in entry =           4
  In of MODEL   13
    1    H    CYS   4           H        CYS   4  -9.045  11.698  -0.706
    2    HA   CYS   4           HA       CYS   4  -9.892   9.559  -2.548
    3    HB2  CYS   4           HB2      CYS   4  -8.585  12.129  -2.991
    4    HB3  CYS   4           HB3      CYS   4  -7.711  10.793  -3.732

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR   5           H        THR   5  -7.458  10.647  -0.319
    2    HA   THR   5           HA       THR   5  -5.469   9.767   0.384
    3    HB   THR   5           HB       THR   5  -6.900   8.339   1.619
    4    HG1  THR   5           HG1      THR   5  -5.552   6.702   1.905
    5   HG21  THR   5          HG21      THR   5  -7.231   6.671  -0.861
    6   HG23  THR   5          HG22      THR   5  -8.473   7.627  -0.054
    7   HG22  THR   5          HG23      THR   5  -7.782   6.218   0.751

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR   6           H        THR   6  -4.022  10.172  -1.251
    2    HA   THR   6           HA       THR   6  -3.662   8.064  -3.268
    3    HB   THR   6           HB       THR   6  -2.585   9.667  -4.654
    4    HG1  THR   6           HG1      THR   6  -1.311  10.887  -3.450
    5   HG21  THR   6          HG21      THR   6  -5.182  10.037  -3.938
    6   HG23  THR   6          HG22      THR   6  -4.350  10.894  -5.236
    7   HG22  THR   6          HG23      THR   6  -4.488  11.631  -3.639

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY   7           H        GLY   7  -1.711   7.037  -3.526
    2    HA3  GLY   7           HA2      GLY   7   0.778   7.709  -2.640
    3    HA2  GLY   7           HA3      GLY   7   0.014   7.005  -1.223

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO   8           HA       PRO   8   2.183   3.715  -3.869
    2    HB2  PRO   8           HB2      PRO   8   2.918   2.892  -1.106
    3    HB3  PRO   8           HB3      PRO   8   3.905   2.925  -2.571
    4    HG2  PRO   8           HG2      PRO   8   4.223   4.769  -0.678
    5    HG3  PRO   8           HG3      PRO   8   4.326   5.199  -2.396
    6    HD2  PRO   8           HD2      PRO   8   2.104   5.663  -0.453
    7    HD3  PRO   8           HD3      PRO   8   2.689   6.702  -1.769

  No H/Q in entry =           7
  In of MODEL   13
    1    H    CYS   9           H        CYS   9   0.320   3.602  -0.863
    2    HA   CYS   9           HA       CYS   9  -0.621   0.914  -1.467
    3    HB2  CYS   9           HB2      CYS   9  -0.569   2.660   0.906
    4    HB3  CYS   9           HB3      CYS   9  -2.008   1.657   0.756

  No H/Q in entry =           4
  In of MODEL   13
    1    H    CYS  10           H        CYS  10  -1.406   3.662  -2.804
    2    HA   CYS  10           HA       CYS  10  -4.269   3.007  -2.911
    3    HB2  CYS  10           HB2      CYS  10  -3.155   5.818  -2.883
    4    HB3  CYS  10           HB3      CYS  10  -4.854   5.364  -2.963

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ARG  11           H        ARG  11  -5.158   2.989  -4.909
    2    HA   ARG  11           HA       ARG  11  -3.529   2.799  -7.169
    3    HB2  ARG  11           HB2      ARG  11  -6.469   3.000  -6.714
    4    HB3  ARG  11           HB3      ARG  11  -5.862   3.195  -8.352
    5    HG2  ARG  11           HG2      ARG  11  -4.817   1.010  -8.255
    6    HG3  ARG  11           HG3      ARG  11  -5.345   0.815  -6.582
    7    HD2  ARG  11           HD2      ARG  11  -7.708   1.104  -7.430
    8    HD3  ARG  11           HD3      ARG  11  -7.049   0.961  -9.059
    9    HE   ARG  11           HE       ARG  11  -7.457  -1.154  -7.164
   10   HH11  ARG  11          HH11      ARG  11  -5.587  -0.130  -9.926
   11   HH12  ARG  11          HH12      ARG  11  -5.207  -1.744 -10.425
   12   HH21  ARG  11          HH21      ARG  11  -6.959  -3.278  -7.818
   13   HH22  ARG  11          HH22      ARG  11  -5.986  -3.531  -9.228

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  12           H        GLN  12  -5.356   5.484  -5.864
    2    HA   GLN  12           HA       GLN  12  -3.814   7.539  -6.753
    3    HB2  GLN  12           HB2      GLN  12  -5.223   8.372  -8.735
    4    HB3  GLN  12           HB3      GLN  12  -4.071   7.081  -9.042
    5    HG2  GLN  12           HG2      GLN  12  -6.415   5.764  -8.360
    6    HG3  GLN  12           HG3      GLN  12  -6.941   7.118  -9.358
    7   HE21  GLN  12          HE21      GLN  12  -7.586   5.481 -10.881
    8   HE22  GLN  12          HE22      GLN  12  -6.417   4.800 -11.955

  No H/Q in entry =           8
  In of MODEL   13
    1    H    CYS  13           H        CYS  13  -7.021   6.322  -6.192
    2    HA   CYS  13           HA       CYS  13  -7.623   8.636  -4.552
    3    HB2  CYS  13           HB2      CYS  13  -8.846   8.190  -7.184
    4    HB3  CYS  13           HB3      CYS  13 -10.013   8.428  -5.887

  No H/Q in entry =           4
  In of MODEL   13
    1    H    LYS  14           H        LYS  14  -7.194   5.714  -4.245
    2    HA   LYS  14           HA       LYS  14  -9.231   5.219  -2.346
    3    HB2  LYS  14           HB2      LYS  14 -10.443   4.765  -4.523
    4    HB3  LYS  14           HB3      LYS  14  -9.346   3.412  -4.761
    5    HG2  LYS  14           HG2      LYS  14 -11.026   2.282  -3.771
    6    HG3  LYS  14           HG3      LYS  14 -10.209   2.825  -2.304
    7    HD2  LYS  14           HD2      LYS  14 -11.734   4.882  -2.450
    8    HD3  LYS  14           HD3      LYS  14 -12.678   3.936  -3.602
    9    HE2  LYS  14           HE2      LYS  14 -12.652   2.114  -1.773
   10    HE3  LYS  14           HE3      LYS  14 -12.187   3.425  -0.691
   11    HZ1  LYS  14           HZ1      LYS  14 -14.628   3.395  -2.382
   12    HZ3  LYS  14           HZ2      LYS  14 -14.193   4.604  -1.282
   13    HZ2  LYS  14           HZ3      LYS  14 -14.588   3.057  -0.724

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  15           H        LEU  15  -8.744   3.479  -1.010
    2    HA   LEU  15           HA       LEU  15  -6.073   2.738  -0.783
    3    HB2  LEU  15           HB2      LEU  15  -8.451   1.202   0.264
    4    HB3  LEU  15           HB3      LEU  15  -6.807   1.117   0.868
    5    HG   LEU  15           HG       LEU  15  -8.227   3.746   0.902
    6   HD13  LEU  15          HD11      LEU  15  -9.905   2.583   1.968
    7   HD12  LEU  15          HD12      LEU  15  -8.857   3.013   3.320
    8   HD11  LEU  15          HD13      LEU  15  -8.796   1.387   2.640
    9   HD22  LEU  15          HD21      LEU  15  -6.022   3.975   1.568
   10   HD21  LEU  15          HD22      LEU  15  -6.000   2.415   2.390
   11   HD23  LEU  15          HD23      LEU  15  -6.864   3.777   3.105

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  16           H        LYS  16  -4.856   1.378  -1.910
    2    HA   LYS  16           HA       LYS  16  -5.734  -0.118  -4.074
    3    HB2  LYS  16           HB2      LYS  16  -3.254  -0.190  -2.395
    4    HB3  LYS  16           HB3      LYS  16  -3.504  -1.418  -3.628
    5    HG2  LYS  16           HG2      LYS  16  -4.019   0.809  -5.057
    6    HG3  LYS  16           HG3      LYS  16  -2.841   1.432  -3.900
    7    HD2  LYS  16           HD2      LYS  16  -1.274  -0.325  -4.528
    8    HD3  LYS  16           HD3      LYS  16  -2.458  -0.997  -5.651
    9    HE2  LYS  16           HE2      LYS  16  -2.241   0.763  -7.137
   10    HE3  LYS  16           HE3      LYS  16  -1.617   1.859  -5.905
   11    HZ1  LYS  16           HZ1      LYS  16  -0.126  -0.488  -6.943
   12    HZ3  LYS  16           HZ2      LYS  16   0.464   0.722  -5.919
   13    HZ2  LYS  16           HZ3      LYS  16   0.071   1.090  -7.522

  No H/Q in entry =          13
  In of MODEL   13
    1    HA   PRO  17           HA       PRO  17  -7.549  -3.896  -2.750
    2    HB2  PRO  17           HB2      PRO  17  -5.373  -5.332  -4.200
    3    HB3  PRO  17           HB3      PRO  17  -7.126  -5.525  -4.324
    4    HG2  PRO  17           HG2      PRO  17  -5.767  -4.240  -6.217
    5    HG3  PRO  17           HG3      PRO  17  -7.366  -3.673  -5.699
    6    HD2  PRO  17           HD2      PRO  17  -4.666  -2.569  -5.076
    7    HD3  PRO  17           HD3      PRO  17  -6.206  -1.720  -5.322

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  18           H        ALA  18  -7.386  -4.653  -0.742
    2    HA   ALA  18           HA       ALA  18  -5.191  -4.606   0.902
    3    HB3  ALA  18           HB1      ALA  18  -7.271  -6.757   1.148
    4    HB1  ALA  18           HB2      ALA  18  -7.634  -5.064   1.485
    5    HB2  ALA  18           HB3      ALA  18  -6.404  -5.906   2.427

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  19           H        GLY  19  -3.265  -5.506   0.595
    2    HA3  GLY  19           HA2      GLY  19  -2.007  -7.589   0.815
    3    HA2  GLY  19           HA3      GLY  19  -3.177  -8.330  -0.267

  No H/Q in entry =           3
  In of MODEL   13
    1    H    THR  20           H        THR  20  -2.126  -5.128  -0.994
    2    HA   THR  20           HA       THR  20  -0.605  -6.184  -3.274
    3    HB   THR  20           HB       THR  20  -1.829  -3.448  -2.860
    4    HG1  THR  20           HG1      THR  20  -3.493  -4.760  -3.274
    5   HG23  THR  20          HG21      THR  20  -1.337  -2.946  -5.109
    6   HG22  THR  20          HG22      THR  20  -0.769  -4.585  -5.427
    7   HG21  THR  20          HG23      THR  20   0.166  -3.514  -4.383

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR  21           H        THR  21   1.533  -6.042  -3.223
    2    HA   THR  21           HA       THR  21   3.015  -4.966  -1.142
    3    HB   THR  21           HB       THR  21   4.084  -6.561  -2.508
    4    HG1  THR  21           HG1      THR  21   5.264  -4.113  -3.302
    5   HG21  THR  21          HG21      THR  21   2.754  -5.351  -4.647
    6   HG23  THR  21          HG22      THR  21   3.794  -6.775  -4.685
    7   HG22  THR  21          HG23      THR  21   4.477  -5.176  -4.979

  No H/Q in entry =           7
  In of MODEL   13
    1    H    CYS  22           H        CYS  22   3.510  -2.962  -0.565
    2    HA   CYS  22           HA       CYS  22   3.169  -0.809  -2.540
    3    HB2  CYS  22           HB2      CYS  22   3.038   0.672  -0.483
    4    HB3  CYS  22           HB3      CYS  22   1.700  -0.449  -0.709

  No H/Q in entry =           4
  In of MODEL   13
    1    H    TRP  23           H        TRP  23   5.382  -2.248  -0.253
    2    HA   TRP  23           HA       TRP  23   7.405  -0.217  -0.889
    3    HB2  TRP  23           HB2      TRP  23   6.746  -1.118   1.535
    4    HB3  TRP  23           HB3      TRP  23   7.929  -2.354   1.120
    5    HD1  TRP  23           HD1      TRP  23   7.922   1.524   0.761
    6    HE1  TRP  23           HE1      TRP  23  10.167   2.397   1.668
    7    HE3  TRP  23           HE3      TRP  23  10.018  -2.925   2.158
    8    HZ2  TRP  23           HZ2      TRP  23  12.516   1.339   2.823
    9    HZ3  TRP  23           HZ3      TRP  23  12.267  -2.907   3.155
   10    HH2  TRP  23           HH2      TRP  23  13.489  -0.819   3.480

  No H/Q in entry =          10
  In of MODEL   13
    1    H    ARG  24           H        ARG  24   7.378  -1.338  -3.078
    2    HA   ARG  24           HA       ARG  24   8.404  -3.922  -3.436
    3    HB2  ARG  24           HB2      ARG  24   7.369  -2.106  -5.106
    4    HB3  ARG  24           HB3      ARG  24   9.074  -1.835  -5.444
    5    HG2  ARG  24           HG2      ARG  24   8.799  -3.461  -6.954
    6    HG3  ARG  24           HG3      ARG  24   8.950  -4.539  -5.565
    7    HD2  ARG  24           HD2      ARG  24   6.673  -4.924  -5.450
    8    HD3  ARG  24           HD3      ARG  24   6.275  -3.431  -6.299
    9    HE   ARG  24           HE       ARG  24   7.693  -5.338  -7.915
   10   HH11  ARG  24          HH11      ARG  24   4.553  -4.320  -6.784
   11   HH12  ARG  24          HH12      ARG  24   3.705  -5.024  -8.120
   12   HH21  ARG  24          HH21      ARG  24   6.580  -6.266  -9.672
   13   HH22  ARG  24          HH22      ARG  24   4.856  -6.130  -9.759

  No H/Q in entry =          13
  In of MODEL   13
    1    H    THR  25           H        THR  25  10.237  -4.523  -2.448
    2    HA   THR  25           HA       THR  25  12.575  -2.758  -2.608
    3    HB   THR  25           HB       THR  25  13.523  -4.397  -0.900
    4    HG1  THR  25           HG1      THR  25  12.178  -5.824   0.015
    5   HG23  THR  25          HG21      THR  25  12.890  -2.411   0.079
    6   HG22  THR  25          HG22      THR  25  11.909  -3.592   0.947
    7   HG21  THR  25          HG23      THR  25  11.191  -2.624  -0.340

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  26           H        SER  26  11.256  -5.580  -3.977
    2    HA   SER  26           HA       SER  26  12.031  -7.049  -5.528
    3    HB2  SER  26           HB2      SER  26  13.028  -4.966  -6.527
    4    HB3  SER  26           HB3      SER  26  14.518  -5.329  -5.656
    5    HG   SER  26           HG       SER  26  13.266  -7.085  -7.500

  No H/Q in entry =           5
  In of MODEL   13
    1    H    VAL  27           H        VAL  27  12.354  -7.724  -2.880
    2    HA   VAL  27           HA       VAL  27  14.192  -9.826  -3.007
    3    HB   VAL  27           HB       VAL  27  15.898  -8.071  -2.816
    4   HG11  VAL  27          HG11      VAL  27  14.573  -6.411  -1.607
    5   HG13  VAL  27          HG12      VAL  27  16.097  -6.739  -0.781
    6   HG12  VAL  27          HG13      VAL  27  14.595  -7.434  -0.171
    7   HG22  VAL  27          HG21      VAL  27  17.210  -9.128  -1.192
    8   HG21  VAL  27          HG22      VAL  27  16.080 -10.377  -1.716
    9   HG23  VAL  27          HG23      VAL  27  15.813  -9.528  -0.193

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  28           H        SER  28  12.476  -7.559  -0.934
    2    HA   SER  28           HA       SER  28  12.008  -9.703   1.016
    3    HB2  SER  28           HB2      SER  28  12.797  -7.154   1.484
    4    HB3  SER  28           HB3      SER  28  11.048  -6.969   1.616
    5    HG   SER  28           HG       SER  28  12.392  -7.636   3.557

  No H/Q in entry =           5
  In of MODEL   13
    1    H    SER  29           H        SER  29  10.377  -7.411  -1.089
    2    HA   SER  29           HA       SER  29   8.242  -7.283  -1.863
    3    HB2  SER  29           HB2      SER  29   7.945 -10.155  -0.965
    4    HB3  SER  29           HB3      SER  29   7.058  -9.331  -2.248
    5    HG   SER  29           HG       SER  29   9.135  -9.105  -3.316

  No H/Q in entry =           5
  In of MODEL   13
    1    H    HIS  30           H        HIS  30   6.988  -5.966  -0.713
    2    HA   HIS  30           HA       HIS  30   6.157  -6.720   1.980
    3    HB2  HIS  30           HB2      HIS  30   6.269  -4.174   0.435
    4    HB3  HIS  30           HB3      HIS  30   5.069  -4.305   1.717
    5    HD1  HIS  30           HD1      HIS  30   6.255  -2.583   3.207
    6    HD2  HIS  30           HD2      HIS  30   8.611  -5.865   2.237
    7    HE1  HIS  30           HE1      HIS  30   8.253  -2.449   4.728
    8    HE2  HIS  30           HE2      HIS  30   9.707  -4.396   4.062

  No H/Q in entry =           8
  In of MODEL   13
    1    H    TYR  31           H        TYR  31   3.782  -5.676   2.394
    2    HA   TYR  31           HA       TYR  31   1.924  -6.324   0.276
    3    HB2  TYR  31           HB2      TYR  31   2.336  -8.086   2.653
    4    HB3  TYR  31           HB3      TYR  31   0.700  -7.872   2.037
    5    HD1  TYR  31           HD1      TYR  31   3.094 -10.178   2.033
    6    HD2  TYR  31           HD2      TYR  31   0.990  -7.829  -0.823
    7    HE1  TYR  31           HE1      TYR  31   3.524 -11.888   0.319
    8    HE2  TYR  31           HE2      TYR  31   1.413  -9.533  -2.545
    9    HH   TYR  31           HH       TYR  31   3.641 -11.698  -2.482

  No H/Q in entry =           9
  In of MODEL   13
    1    H    CYS  32           H        CYS  32   0.521  -4.709   0.333
    2    HA   CYS  32           HA       CYS  32   0.133  -3.109   2.677
    3    HB2  CYS  32           HB2      CYS  32   0.078  -2.309   0.253
    4    HB3  CYS  32           HB3      CYS  32  -1.535  -3.009   0.166

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR  33           H        THR  33  -2.003  -2.633   3.591
    2    HA   THR  33           HA       THR  33  -3.546  -5.104   3.897
    3    HB   THR  33           HB       THR  33  -2.853  -4.302   5.999
    4    HG1  THR  33           HG1      THR  33  -4.840  -3.593   6.956
    5   HG21  THR  33          HG21      THR  33  -3.759  -1.571   5.132
    6   HG23  THR  33          HG22      THR  33  -2.117  -2.090   5.512
    7   HG22  THR  33          HG23      THR  33  -3.330  -1.997   6.789

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  34           H        GLY  34  -3.703  -2.549   1.917
    2    HA3  GLY  34           HA2      GLY  34  -5.373  -1.479   0.762
    3    HA2  GLY  34           HA3      GLY  34  -6.295  -2.946   1.050

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ARG  35           H        ARG  35  -5.193  -1.012   3.722
    2    HA   ARG  35           HA       ARG  35  -7.966  -0.117   4.154
    3    HB2  ARG  35           HB2      ARG  35  -6.677  -1.826   5.755
    4    HB3  ARG  35           HB3      ARG  35  -6.088  -0.322   6.449
    5    HG2  ARG  35           HG2      ARG  35  -8.246   0.373   7.055
    6    HG3  ARG  35           HG3      ARG  35  -9.012  -0.836   6.023
    7    HD2  ARG  35           HD2      ARG  35  -7.202  -1.853   8.125
    8    HD3  ARG  35           HD3      ARG  35  -8.712  -1.128   8.675
    9    HE   ARG  35           HE       ARG  35  -9.209  -2.958   6.579
   10   HH11  ARG  35          HH11      ARG  35  -8.354  -2.846   9.960
   11   HH12  ARG  35          HH12      ARG  35  -9.062  -4.385  10.319
   12   HH21  ARG  35          HH21      ARG  35 -10.141  -4.982   7.049
   13   HH22  ARG  35          HH22      ARG  35 -10.076  -5.598   8.666

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  36           H        SER  36  -4.562   0.730   4.451
    2    HA   SER  36           HA       SER  36  -5.321   3.558   4.364
    3    HB2  SER  36           HB2      SER  36  -4.879   2.962   6.738
    4    HB3  SER  36           HB3      SER  36  -3.254   2.452   6.280
    5    HG   SER  36           HG       SER  36  -2.818   4.475   6.709

  No H/Q in entry =           5
  In of MODEL   13
    1    H    CYS  37           H        CYS  37  -3.710   4.953   3.507
    2    HA   CYS  37           HA       CYS  37  -2.127   3.734   1.468
    3    HB2  CYS  37           HB2      CYS  37  -3.211   6.262   1.912
    4    HB3  CYS  37           HB3      CYS  37  -1.471   6.518   1.986

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLU  38           H        GLU  38  -1.539   4.704   4.723
    2    HA   GLU  38           HA       GLU  38   1.224   5.201   4.610
    3    HB2  GLU  38           HB2      GLU  38  -0.301   5.692   6.547
    4    HB3  GLU  38           HB3      GLU  38  -0.284   3.974   6.922
    5    HG2  GLU  38           HG2      GLU  38   1.981   4.006   7.504
    6    HG3  GLU  38           HG3      GLU  38   2.247   5.566   6.727

  No H/Q in entry =           6
  In of MODEL   13
    1    H    CYS  39           H        CYS  39   2.127   3.643   3.214
    2    HA   CYS  39           HA       CYS  39   1.896   0.884   3.422
    3    HB2  CYS  39           HB2      CYS  39   2.945   1.986   1.509
    4    HB3  CYS  39           HB3      CYS  39   4.285   2.508   2.524

  No H/Q in entry =           4
  In of MODEL   13
    1    HA   PRO  40           HA       PRO  40   3.701   0.398   7.550
    2    HB2  PRO  40           HB2      PRO  40   3.509  -2.442   6.669
    3    HB3  PRO  40           HB3      PRO  40   2.985  -1.695   8.183
    4    HG2  PRO  40           HG2      PRO  40   1.209  -2.368   6.320
    5    HG3  PRO  40           HG3      PRO  40   1.027  -0.869   7.251
    6    HD2  PRO  40           HD2      PRO  40   1.955  -1.258   4.439
    7    HD3  PRO  40           HD3      PRO  40   0.975   0.049   5.135

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  41           H        SER  41   5.542  -1.089   8.359
    2    HA   SER  41           HA       SER  41   7.601  -1.366   6.275
    3    HB2  SER  41           HB2      SER  41   7.715   0.133   8.853
    4    HB3  SER  41           HB3      SER  41   9.171  -0.705   8.318
    5    HG   SER  41           HG       SER  41   9.246   0.547   6.527

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  42           H        TYR  42   6.004  -3.461   7.154
    2    HA   TYR  42           HA       TYR  42   7.842  -5.016   8.854
    3    HB2  TYR  42           HB2      TYR  42   4.937  -5.666   8.367
    4    HB3  TYR  42           HB3      TYR  42   5.997  -6.310   9.616
    5    HD1  TYR  42           HD1      TYR  42   3.451  -3.994   8.942
    6    HD2  TYR  42           HD2      TYR  42   6.982  -4.487  11.264
    7    HE1  TYR  42           HE1      TYR  42   2.667  -2.255  10.494
    8    HE2  TYR  42           HE2      TYR  42   6.207  -2.750  12.822
    9    HH   TYR  42           HH       TYR  42   3.201  -1.753  13.119

  No H/Q in entry =           9
  In of MODEL   13
    1    HA   PRO  43           HA       PRO  43   8.503  -6.766   4.633
    2    HB2  PRO  43           HB2      PRO  43  10.629  -8.063   6.272
    3    HB3  PRO  43           HB3      PRO  43  10.735  -7.333   4.666
    4    HG2  PRO  43           HG2      PRO  43  11.685  -6.056   6.799
    5    HG3  PRO  43           HG3      PRO  43  10.844  -5.174   5.510
    6    HD2  PRO  43           HD2      PRO  43   9.877  -5.942   8.226
    7    HD3  PRO  43           HD3      PRO  43   9.527  -4.488   7.270

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  44           H        GLY  44   8.546  -9.011   3.895
    2    HA3  GLY  44           HA2      GLY  44   7.484 -10.920   5.875
    3    HA2  GLY  44           HA3      GLY  44   6.659 -10.678   4.343

  No H/Q in entry =           3
  In of MODEL   14
    1    H1   ALA   1           H3       ALA   1 -14.061  13.090  -3.121
    2    H2   ALA   1           H2       ALA   1 -13.429  14.009  -4.425
    3    H3   ALA   1           H1       ALA   1 -13.368  12.294  -4.471
    4    HA   ALA   1           HA       ALA   1 -11.754  12.161  -2.900
    5    HB2  ALA   1           HB1      ALA   1 -10.803  12.916  -4.949
    6    HB1  ALA   1           HB2      ALA   1 -10.012  13.800  -3.644
    7    HB3  ALA   1           HB3      ALA   1 -11.257  14.587  -4.614

  No H/Q in entry =           7
  In of MODEL   14
    1    H    MET   2           H        MET   2 -11.635  12.487  -0.789
    2    HA   MET   2           HA       MET   2 -11.539  15.213   0.243
    3    HB2  MET   2           HB2      MET   2 -13.936  14.311   0.317
    4    HB3  MET   2           HB3      MET   2 -13.356  13.193   1.544
    5    HG2  MET   2           HG2      MET   2 -14.017  14.812   2.945
    6    HG3  MET   2           HG3      MET   2 -12.440  15.501   2.561
    7    HE2  MET   2           HE1      MET   2 -16.144  17.257   2.785
    8    HE1  MET   2           HE2      MET   2 -15.951  15.512   2.612
    9    HE3  MET   2           HE3      MET   2 -16.562  16.470   1.263

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP   3           H        ASP   3 -11.701  11.833   1.382
    2    HA   ASP   3           HA       ASP   3  -9.432  12.413   3.160
    3    HB2  ASP   3           HB2      ASP   3 -11.705  11.474   4.014
    4    HB3  ASP   3           HB3      ASP   3 -11.133   9.945   3.355

  No H/Q in entry =           4
  In of MODEL   14
    1    H    CYS   4           H        CYS   4  -9.048  11.937   0.366
    2    HA   CYS   4           HA       CYS   4  -8.347   9.291  -0.241
    3    HB2  CYS   4           HB2      CYS   4  -7.396  11.938  -1.328
    4    HB3  CYS   4           HB3      CYS   4  -6.819  10.401  -1.964

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR   5           H        THR   5  -6.964   8.096   0.887
    2    HA   THR   5           HA       THR   5  -4.793   9.246   2.375
    3    HB   THR   5           HB       THR   5  -5.082   6.308   1.831
    4    HG1  THR   5           HG1      THR   5  -6.771   6.158   3.137
    5   HG23  THR   5          HG21      THR   5  -4.196   5.983   3.966
    6   HG22  THR   5          HG22      THR   5  -4.483   7.658   4.436
    7   HG21  THR   5          HG23      THR   5  -3.223   7.275   3.263

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR   6           H        THR   6  -4.064  10.219   0.183
    2    HA   THR   6           HA       THR   6  -2.861   8.810  -1.840
    3    HB   THR   6           HB       THR   6  -1.165  10.890  -1.693
    4    HG1  THR   6           HG1      THR   6  -2.201  12.613  -0.685
    5   HG21  THR   6          HG21      THR   6  -3.357  10.339  -3.192
    6   HG23  THR   6          HG22      THR   6  -2.365  11.789  -3.343
    7   HG22  THR   6          HG23      THR   6  -3.844  11.828  -2.383

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY   7           H        GLY   7  -1.594   7.085  -1.524
    2    HA3  GLY   7           HA2      GLY   7   1.017   7.499  -0.347
    3    HA2  GLY   7           HA3      GLY   7   0.000   6.364   0.529

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO   8           HA       PRO   8   2.583   4.367  -3.006
    2    HB2  PRO   8           HB2      PRO   8   3.193   2.621  -0.666
    3    HB3  PRO   8           HB3      PRO   8   4.247   3.146  -1.984
    4    HG2  PRO   8           HG2      PRO   8   4.453   4.243   0.431
    5    HG3  PRO   8           HG3      PRO   8   4.620   5.229  -1.034
    6    HD2  PRO   8           HD2      PRO   8   2.327   5.024   0.864
    7    HD3  PRO   8           HD3      PRO   8   2.928   6.432  -0.035

  No H/Q in entry =           7
  In of MODEL   14
    1    H    CYS   9           H        CYS   9   0.346   3.369  -0.513
    2    HA   CYS   9           HA       CYS   9  -0.481   1.081  -2.169
    3    HB2  CYS   9           HB2      CYS   9   0.225   0.964   0.406
    4    HB3  CYS   9           HB3      CYS   9  -1.472   1.378   0.620

  No H/Q in entry =           4
  In of MODEL   14
    1    H    CYS  10           H        CYS  10  -1.239   3.951  -2.489
    2    HA   CYS  10           HA       CYS  10  -4.141   3.531  -2.464
    3    HB2  CYS  10           HB2      CYS  10  -2.775   5.362  -0.793
    4    HB3  CYS  10           HB3      CYS  10  -3.582   6.315  -2.032

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ARG  11           H        ARG  11  -4.342   3.256  -4.635
    2    HA   ARG  11           HA       ARG  11  -3.318   5.405  -6.369
    3    HB2  ARG  11           HB2      ARG  11  -2.551   3.009  -6.768
    4    HB3  ARG  11           HB3      ARG  11  -4.200   2.666  -7.272
    5    HG2  ARG  11           HG2      ARG  11  -3.730   4.778  -8.828
    6    HG3  ARG  11           HG3      ARG  11  -2.074   4.197  -8.640
    7    HD2  ARG  11           HD2      ARG  11  -4.437   2.614  -9.645
    8    HD3  ARG  11           HD3      ARG  11  -3.086   3.210 -10.608
    9    HE   ARG  11           HE       ARG  11  -2.276   1.503  -8.449
   10   HH11  ARG  11          HH11      ARG  11  -3.421   1.576 -11.744
   11   HH12  ARG  11          HH12      ARG  11  -2.742   0.034 -12.146
   12   HH21  ARG  11          HH21      ARG  11  -1.381  -0.524  -8.975
   13   HH22  ARG  11          HH22      ARG  11  -1.585  -1.158 -10.574

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  12           H        GLN  12  -4.726   6.679  -7.400
    2    HA   GLN  12           HA       GLN  12  -6.674   7.560  -8.183
    3    HB2  GLN  12           HB2      GLN  12  -7.039   4.657  -8.490
    4    HB3  GLN  12           HB3      GLN  12  -8.528   5.588  -8.451
    5    HG2  GLN  12           HG2      GLN  12  -6.416   6.652 -10.197
    6    HG3  GLN  12           HG3      GLN  12  -7.102   5.101 -10.681
    7   HE21  GLN  12          HE21      GLN  12  -9.279   4.983 -11.242
    8   HE22  GLN  12          HE22      GLN  12 -10.203   6.390 -11.631

  No H/Q in entry =           8
  In of MODEL   14
    1    H    CYS  13           H        CYS  13  -6.213   6.711  -5.226
    2    HA   CYS  13           HA       CYS  13  -7.245   7.231  -3.262
    3    HB2  CYS  13           HB2      CYS  13  -8.333   9.073  -4.638
    4    HB3  CYS  13           HB3      CYS  13  -9.709   7.992  -4.831

  No H/Q in entry =           4
  In of MODEL   14
    1    H    LYS  14           H        LYS  14  -7.191   4.627  -4.151
    2    HA   LYS  14           HA       LYS  14  -9.620   3.578  -2.901
    3    HB2  LYS  14           HB2      LYS  14  -8.616   2.966  -5.640
    4    HB3  LYS  14           HB3      LYS  14  -9.289   1.643  -4.699
    5    HG2  LYS  14           HG2      LYS  14 -10.815   4.192  -4.977
    6    HG3  LYS  14           HG3      LYS  14 -10.814   3.012  -6.289
    7    HD2  LYS  14           HD2      LYS  14 -11.987   1.464  -5.082
    8    HD3  LYS  14           HD3      LYS  14 -11.356   2.034  -3.535
    9    HE2  LYS  14           HE2      LYS  14 -12.811   3.931  -3.565
   10    HE3  LYS  14           HE3      LYS  14 -13.315   3.586  -5.219
   11    HZ1  LYS  14           HZ1      LYS  14 -13.997   1.316  -4.056
   12    HZ3  LYS  14           HZ2      LYS  14 -15.040   2.646  -4.134
   13    HZ2  LYS  14           HZ3      LYS  14 -14.158   2.345  -2.722

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  15           H        LEU  15  -8.872   2.608  -1.133
    2    HA   LEU  15           HA       LEU  15  -6.329   1.835  -0.529
    3    HB2  LEU  15           HB2      LEU  15  -8.664   1.748   0.789
    4    HB3  LEU  15           HB3      LEU  15  -8.462   0.037   0.463
    5    HG   LEU  15           HG       LEU  15  -6.385   1.733   1.844
    6   HD13  LEU  15          HD11      LEU  15  -7.343   1.374   3.835
    7   HD12  LEU  15          HD12      LEU  15  -7.841  -0.264   3.412
    8   HD11  LEU  15          HD13      LEU  15  -8.816   1.114   2.901
    9   HD22  LEU  15          HD21      LEU  15  -5.231  -0.088   1.054
   10   HD21  LEU  15          HD22      LEU  15  -6.635  -1.152   1.137
   11   HD23  LEU  15          HD23      LEU  15  -5.784  -0.698   2.614

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  16           H        LYS  16  -5.049   0.677  -1.821
    2    HA   LYS  16           HA       LYS  16  -5.698  -1.202  -3.690
    3    HB2  LYS  16           HB2      LYS  16  -3.251  -0.806  -2.007
    4    HB3  LYS  16           HB3      LYS  16  -3.344  -2.184  -3.095
    5    HG2  LYS  16           HG2      LYS  16  -3.869   0.595  -4.075
    6    HG3  LYS  16           HG3      LYS  16  -2.227  -0.034  -3.932
    7    HD2  LYS  16           HD2      LYS  16  -2.590  -1.684  -5.542
    8    HD3  LYS  16           HD3      LYS  16  -4.346  -1.571  -5.395
    9    HE2  LYS  16           HE2      LYS  16  -2.977   0.894  -6.246
   10    HE3  LYS  16           HE3      LYS  16  -2.910  -0.445  -7.391
   11    HZ2  LYS  16           HZ1      LYS  16  -5.202   1.120  -6.493
   12    HZ1  LYS  16           HZ2      LYS  16  -5.470  -0.525  -6.782
   13    HZ3  LYS  16           HZ3      LYS  16  -4.869   0.463  -8.017

  No H/Q in entry =          13
  In of MODEL   14
    1    HA   PRO  17           HA       PRO  17  -7.229  -4.886  -1.829
    2    HB2  PRO  17           HB2      PRO  17  -5.205  -6.341  -3.460
    3    HB3  PRO  17           HB3      PRO  17  -6.952  -6.585  -3.355
    4    HG2  PRO  17           HG2      PRO  17  -5.872  -5.390  -5.475
    5    HG3  PRO  17           HG3      PRO  17  -7.417  -4.836  -4.804
    6    HD2  PRO  17           HD2      PRO  17  -4.701  -3.622  -4.566
    7    HD3  PRO  17           HD3      PRO  17  -6.285  -2.831  -4.698

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  18           H        ALA  18  -6.789  -6.112  -0.068
    2    HA   ALA  18           HA       ALA  18  -4.470  -5.663   1.439
    3    HB1  ALA  18           HB1      ALA  18  -6.883  -6.636   2.034
    4    HB3  ALA  18           HB2      ALA  18  -5.474  -6.887   3.063
    5    HB2  ALA  18           HB3      ALA  18  -5.988  -8.153   1.947

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  19           H        GLY  19  -2.704  -6.996   1.943
    2    HA3  GLY  19           HA2      GLY  19  -1.132  -8.657   1.620
    3    HA2  GLY  19           HA3      GLY  19  -2.301  -9.514   0.629

  No H/Q in entry =           3
  In of MODEL   14
    1    H    THR  20           H        THR  20  -1.959  -6.340  -0.433
    2    HA   THR  20           HA       THR  20  -0.156  -7.232  -2.578
    3    HB   THR  20           HB       THR  20  -2.182  -4.985  -2.580
    4    HG1  THR  20           HG1      THR  20  -3.286  -6.384  -4.027
    5   HG22  THR  20          HG21      THR  20  -1.289  -5.963  -5.156
    6   HG21  THR  20          HG22      THR  20   0.010  -5.218  -4.223
    7   HG23  THR  20          HG23      THR  20  -1.463  -4.310  -4.565

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR  21           H        THR  21   1.862  -6.557  -2.325
    2    HA   THR  21           HA       THR  21   2.729  -4.574  -0.574
    3    HB   THR  21           HB       THR  21   4.333  -6.148  -1.280
    4    HG1  THR  21           HG1      THR  21   5.957  -4.839  -2.197
    5   HG23  THR  21          HG21      THR  21   3.540  -6.979  -3.322
    6   HG22  THR  21          HG22      THR  21   5.097  -6.235  -3.687
    7   HG21  THR  21          HG23      THR  21   3.600  -5.391  -4.086

  No H/Q in entry =           7
  In of MODEL   14
    1    H    CYS  22           H        CYS  22   3.584  -2.477  -0.936
    2    HA   CYS  22           HA       CYS  22   2.196  -1.050  -3.085
    3    HB2  CYS  22           HB2      CYS  22   2.782   0.990  -1.747
    4    HB3  CYS  22           HB3      CYS  22   1.746  -0.156  -0.904

  No H/Q in entry =           4
  In of MODEL   14
    1    H    TRP  23           H        TRP  23   5.400  -1.599  -1.733
    2    HA   TRP  23           HA       TRP  23   6.549  -0.429  -4.177
    3    HB2  TRP  23           HB2      TRP  23   6.869   1.075  -2.214
    4    HB3  TRP  23           HB3      TRP  23   7.754  -0.219  -1.411
    5    HD1  TRP  23           HD1      TRP  23   8.034   1.662  -4.807
    6    HE1  TRP  23           HE1      TRP  23  10.532   2.080  -5.267
    7    HE3  TRP  23           HE3      TRP  23  10.011  -0.622  -0.683
    8    HZ2  TRP  23           HZ2      TRP  23  13.012   1.515  -4.043
    9    HZ3  TRP  23           HZ3      TRP  23  12.456  -0.639  -0.402
   10    HH2  TRP  23           HH2      TRP  23  13.924   0.407  -2.049

  No H/Q in entry =          10
  In of MODEL   14
    1    H    ARG  24           H        ARG  24   7.173  -2.189  -5.278
    2    HA   ARG  24           HA       ARG  24   8.764  -4.214  -3.844
    3    HB2  ARG  24           HB2      ARG  24   8.050  -5.829  -5.531
    4    HB3  ARG  24           HB3      ARG  24   6.660  -5.109  -4.730
    5    HG2  ARG  24           HG2      ARG  24   6.744  -3.457  -6.768
    6    HG3  ARG  24           HG3      ARG  24   7.613  -4.792  -7.528
    7    HD2  ARG  24           HD2      ARG  24   4.879  -4.944  -6.263
    8    HD3  ARG  24           HD3      ARG  24   5.219  -4.915  -7.992
    9    HE   ARG  24           HE       ARG  24   6.639  -7.047  -6.970
   10   HH11  ARG  24          HH11      ARG  24   3.290  -6.086  -7.162
   11   HH12  ARG  24          HH12      ARG  24   2.695  -7.712  -7.201
   12   HH21  ARG  24          HH21      ARG  24   5.859  -9.186  -7.022
   13   HH22  ARG  24          HH22      ARG  24   4.154  -9.472  -7.121

  No H/Q in entry =          13
  In of MODEL   14
    1    H    THR  25           H        THR  25  10.360  -5.363  -5.287
    2    HA   THR  25           HA       THR  25  11.320  -4.143  -7.648
    3    HB   THR  25           HB       THR  25  12.049  -2.338  -6.242
    4    HG1  THR  25           HG1      THR  25  13.730  -2.483  -7.485
    5   HG22  THR  25          HG21      THR  25  13.959  -3.760  -4.594
    6   HG21  THR  25          HG22      THR  25  12.289  -4.188  -4.221
    7   HG23  THR  25          HG23      THR  25  12.801  -2.501  -4.163

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  26           H        SER  26  10.733  -6.758  -6.704
    2    HA   SER  26           HA       SER  26  11.546  -8.880  -6.799
    3    HB2  SER  26           HB2      SER  26  13.563  -7.325  -8.361
    4    HB3  SER  26           HB3      SER  26  13.938  -8.996  -7.942
    5    HG   SER  26           HG       SER  26  12.105  -7.992  -9.732

  No H/Q in entry =           5
  In of MODEL   14
    1    H    VAL  27           H        VAL  27  11.957  -7.396  -4.413
    2    HA   VAL  27           HA       VAL  27  13.699  -9.092  -3.028
    3    HB   VAL  27           HB       VAL  27  15.473  -7.846  -4.192
    4   HG13  VAL  27          HG11      VAL  27  15.861  -5.485  -3.684
    5   HG12  VAL  27          HG12      VAL  27  14.367  -5.440  -2.748
    6   HG11  VAL  27          HG13      VAL  27  14.310  -5.726  -4.488
    7   HG22  VAL  27          HG21      VAL  27  16.470  -8.529  -2.297
    8   HG21  VAL  27          HG22      VAL  27  15.162  -7.933  -1.274
    9   HG23  VAL  27          HG23      VAL  27  16.405  -6.823  -1.853

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  28           H        SER  28  12.251  -5.885  -3.164
    2    HA   SER  28           HA       SER  28  11.825  -5.945  -0.263
    3    HB2  SER  28           HB2      SER  28  11.409  -3.671  -2.220
    4    HB3  SER  28           HB3      SER  28  11.272  -3.567  -0.464
    5    HG   SER  28           HG       SER  28  13.347  -3.327  -0.377

  No H/Q in entry =           5
  In of MODEL   14
    1    H    SER  29           H        SER  29   9.813  -5.945   0.646
    2    HA   SER  29           HA       SER  29   7.422  -5.524  -0.853
    3    HB2  SER  29           HB2      SER  29   8.212  -8.353  -0.144
    4    HB3  SER  29           HB3      SER  29   6.548  -7.880  -0.487
    5    HG   SER  29           HG       SER  29   7.449  -7.030  -2.528

  No H/Q in entry =           5
  In of MODEL   14
    1    H    HIS  30           H        HIS  30   6.056  -4.640   0.539
    2    HA   HIS  30           HA       HIS  30   6.347  -5.269   3.393
    3    HB2  HIS  30           HB2      HIS  30   5.247  -2.872   1.938
    4    HB3  HIS  30           HB3      HIS  30   4.937  -3.140   3.650
    5    HD1  HIS  30           HD1      HIS  30   6.519  -1.929   5.097
    6    HD2  HIS  30           HD2      HIS  30   8.262  -2.998   1.480
    7    HE1  HIS  30           HE1      HIS  30   8.861  -1.018   5.184
    8    HE2  HIS  30           HE2      HIS  30   9.868  -1.602   2.950

  No H/Q in entry =           8
  In of MODEL   14
    1    H    TYR  31           H        TYR  31   4.078  -5.219   0.735
    2    HA   TYR  31           HA       TYR  31   2.008  -6.115   0.461
    3    HB2  TYR  31           HB2      TYR  31   3.014  -7.677   2.819
    4    HB3  TYR  31           HB3      TYR  31   1.361  -7.893   2.254
    5    HD1  TYR  31           HD1      TYR  31   4.196  -9.577   2.222
    6    HD2  TYR  31           HD2      TYR  31   1.611  -7.777  -0.637
    7    HE1  TYR  31           HE1      TYR  31   4.995 -11.157   0.515
    8    HE2  TYR  31           HE2      TYR  31   2.402  -9.352  -2.352
    9    HH   TYR  31           HH       TYR  31   5.006 -10.902  -2.366

  No H/Q in entry =           9
  In of MODEL   14
    1    H    CYS  32           H        CYS  32   0.113  -5.147   0.766
    2    HA   CYS  32           HA       CYS  32  -0.283  -3.492   3.101
    3    HB2  CYS  32           HB2      CYS  32  -1.262  -3.558   0.406
    4    HB3  CYS  32           HB3      CYS  32  -2.631  -3.540   1.512

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR  33           H        THR  33  -2.609  -3.490   4.026
    2    HA   THR  33           HA       THR  33  -3.407  -6.278   4.554
    3    HB   THR  33           HB       THR  33  -3.791  -5.780   6.829
    4    HG1  THR  33           HG1      THR  33  -3.940  -3.750   7.631
    5   HG23  THR  33          HG21      THR  33  -1.719  -5.347   7.657
    6   HG22  THR  33          HG22      THR  33  -1.420  -4.025   6.527
    7   HG21  THR  33          HG23      THR  33  -1.305  -5.697   5.979

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  34           H        GLY  34  -4.399  -4.068   2.676
    2    HA3  GLY  34           HA2      GLY  34  -6.408  -3.223   1.943
    3    HA2  GLY  34           HA3      GLY  34  -7.069  -4.720   2.578

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ARG  35           H        ARG  35  -5.529  -2.436   4.702
    2    HA   ARG  35           HA       ARG  35  -8.179  -1.692   5.753
    3    HB2  ARG  35           HB2      ARG  35  -6.537  -3.217   7.128
    4    HB3  ARG  35           HB3      ARG  35  -5.741  -1.690   7.485
    5    HG2  ARG  35           HG2      ARG  35  -7.493  -0.907   8.735
    6    HG3  ARG  35           HG3      ARG  35  -8.682  -1.904   7.892
    7    HD2  ARG  35           HD2      ARG  35  -6.551  -3.132   9.609
    8    HD3  ARG  35           HD3      ARG  35  -8.052  -2.526  10.309
    9    HE   ARG  35           HE       ARG  35  -8.887  -4.143   8.295
   10   HH11  ARG  35          HH11      ARG  35  -6.746  -4.585  11.015
   11   HH12  ARG  35          HH12      ARG  35  -7.104  -6.271  11.182
   12   HH21  ARG  35          HH21      ARG  35  -9.359  -6.360   8.513
   13   HH22  ARG  35          HH22      ARG  35  -8.587  -7.279   9.762

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  36           H        SER  36  -4.878  -0.636   5.150
    2    HA   SER  36           HA       SER  36  -5.832   2.127   5.042
    3    HB2  SER  36           HB2      SER  36  -3.775   1.049   6.905
    4    HB3  SER  36           HB3      SER  36  -3.460   2.621   6.173
    5    HG   SER  36           HG       SER  36  -4.783   3.400   7.590

  No H/Q in entry =           5
  In of MODEL   14
    1    H    CYS  37           H        CYS  37  -3.968   3.573   4.187
    2    HA   CYS  37           HA       CYS  37  -2.744   2.142   1.929
    3    HB2  CYS  37           HB2      CYS  37  -3.651   4.998   2.246
    4    HB3  CYS  37           HB3      CYS  37  -2.607   4.486   0.925

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLU  38           H        GLU  38  -1.718   2.606   4.758
    2    HA   GLU  38           HA       GLU  38   0.812   3.925   4.022
    3    HB2  GLU  38           HB2      GLU  38  -0.791   3.932   6.534
    4    HB3  GLU  38           HB3      GLU  38   0.960   3.993   6.678
    5    HG2  GLU  38           HG2      GLU  38  -0.587   5.898   4.950
    6    HG3  GLU  38           HG3      GLU  38  -0.261   6.204   6.656

  No H/Q in entry =           6
  In of MODEL   14
    1    H    CYS  39           H        CYS  39   1.929   2.153   3.292
    2    HA   CYS  39           HA       CYS  39   1.933  -0.411   4.335
    3    HB2  CYS  39           HB2      CYS  39   3.909   1.184   2.758
    4    HB3  CYS  39           HB3      CYS  39   4.398  -0.381   3.398

  No H/Q in entry =           4
  In of MODEL   14
    1    HA   PRO  40           HA       PRO  40   3.603   0.527   8.445
    2    HB2  PRO  40           HB2      PRO  40   3.692  -2.453   8.435
    3    HB3  PRO  40           HB3      PRO  40   3.059  -1.350   9.662
    4    HG2  PRO  40           HG2      PRO  40   1.405  -2.692   8.069
    5    HG3  PRO  40           HG3      PRO  40   1.068  -1.010   8.521
    6    HD2  PRO  40           HD2      PRO  40   2.099  -2.113   5.947
    7    HD3  PRO  40           HD3      PRO  40   1.006  -0.744   6.232

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  41           H        SER  41   5.534  -0.476   9.681
    2    HA   SER  41           HA       SER  41   7.775  -0.591   7.804
    3    HB2  SER  41           HB2      SER  41   7.860  -0.251  10.810
    4    HB3  SER  41           HB3      SER  41   9.183   0.013   9.674
    5    HG   SER  41           HG       SER  41   6.788   1.510   9.919

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  42           H        TYR  42   6.205  -2.908   7.984
    2    HA   TYR  42           HA       TYR  42   7.879  -4.752   9.544
    3    HB2  TYR  42           HB2      TYR  42   5.058  -4.909   8.525
    4    HB3  TYR  42           HB3      TYR  42   5.942  -6.377   8.932
    5    HD1  TYR  42           HD1      TYR  42   7.344  -5.873  11.327
    6    HD2  TYR  42           HD2      TYR  42   3.542  -4.358  10.165
    7    HE1  TYR  42           HE1      TYR  42   6.743  -5.582  13.694
    8    HE2  TYR  42           HE2      TYR  42   2.931  -4.061  12.529
    9    HH   TYR  42           HH       TYR  42   3.976  -3.818  14.685

  No H/Q in entry =           9
  In of MODEL   14
    1    HA   PRO  43           HA       PRO  43   9.354  -5.473   5.246
    2    HB2  PRO  43           HB2      PRO  43  11.864  -6.201   5.980
    3    HB3  PRO  43           HB3      PRO  43  11.375  -4.515   5.776
    4    HG2  PRO  43           HG2      PRO  43  11.625  -6.124   8.288
    5    HG3  PRO  43           HG3      PRO  43  12.137  -4.456   7.973
    6    HD2  PRO  43           HD2      PRO  43   9.850  -5.050   9.293
    7    HD3  PRO  43           HD3      PRO  43  10.009  -3.615   8.261

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  44           H        GLY  44   8.502  -7.333   4.524
    2    HA3  GLY  44           HA2      GLY  44   8.815  -9.789   6.064
    3    HA2  GLY  44           HA3      GLY  44   7.811  -9.574   4.638

  No H/Q in entry =           3
  In of MODEL   15
    1    H1   ALA   1           H3       ALA   1 -10.673  18.248   4.622
    2    H2   ALA   1           H2       ALA   1 -11.405  19.708   4.095
    3    H3   ALA   1           H1       ALA   1 -12.029  18.876   5.461
    4    HA   ALA   1           HA       ALA   1 -12.744  17.092   4.159
    5    HB1  ALA   1           HB1      ALA   1 -14.365  18.247   2.688
    6    HB2  ALA   1           HB2      ALA   1 -13.485  19.753   2.950
    7    HB3  ALA   1           HB3      ALA   1 -14.276  18.946   4.305

  No H/Q in entry =           7
  In of MODEL   15
    1    H    MET   2           H        MET   2 -11.538  15.758   2.945
    2    HA   MET   2           HA       MET   2 -10.989  16.569   0.192
    3    HB2  MET   2           HB2      MET   2  -8.926  15.497   2.115
    4    HB3  MET   2           HB3      MET   2  -8.717  15.453   0.370
    5    HG2  MET   2           HG2      MET   2  -7.694  17.415   0.688
    6    HG3  MET   2           HG3      MET   2  -9.337  18.052   0.717
    7    HE1  MET   2           HE1      MET   2  -7.972  20.082   1.802
    8    HE3  MET   2           HE2      MET   2  -6.467  19.269   2.229
    9    HE2  MET   2           HE3      MET   2  -7.403  20.101   3.471

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP   3           H        ASP   3 -10.774  13.907   2.544
    2    HA   ASP   3           HA       ASP   3 -11.319  11.704   2.406
    3    HB2  ASP   3           HB2      ASP   3 -13.030  12.478   0.039
    4    HB3  ASP   3           HB3      ASP   3 -13.235  11.085   1.097

  No H/Q in entry =           4
  In of MODEL   15
    1    H    CYS   4           H        CYS   4 -11.668   9.886   0.499
    2    HA   CYS   4           HA       CYS   4 -10.595   8.598  -1.037
    3    HB2  CYS   4           HB2      CYS   4 -10.233  11.357  -2.096
    4    HB3  CYS   4           HB3      CYS   4  -9.252  10.080  -2.808

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR   5           H        THR   5  -8.955   7.393  -0.373
    2    HA   THR   5           HA       THR   5  -6.798   8.262   1.158
    3    HB   THR   5           HB       THR   5  -5.765   6.060   0.588
    4    HG1  THR   5           HG1      THR   5  -8.074   5.689  -1.010
    5   HG21  THR   5          HG21      THR   5  -8.350   6.448   1.803
    6   HG23  THR   5          HG22      THR   5  -7.030   5.375   2.268
    7   HG22  THR   5          HG23      THR   5  -8.210   4.852   1.066

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR   6           H        THR   6  -4.437   7.806   0.452
    2    HA   THR   6           HA       THR   6  -3.834   8.499  -2.288
    3    HB   THR   6           HB       THR   6  -2.365  10.453  -1.431
    4    HG1  THR   6           HG1      THR   6  -3.183  11.457   0.415
    5   HG22  THR   6          HG21      THR   6  -5.270  11.098  -1.236
    6   HG21  THR   6          HG22      THR   6  -4.571  10.583  -2.771
    7   HG23  THR   6          HG23      THR   6  -3.958  12.026  -1.962

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY   7           H        GLY   7  -2.060   7.437  -2.881
    2    HA3  GLY   7           HA2      GLY   7   0.406   7.297  -1.944
    3    HA2  GLY   7           HA3      GLY   7  -0.398   6.228  -0.804

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO   8           HA       PRO   8   0.929   3.814  -4.601
    2    HB2  PRO   8           HB2      PRO   8   2.586   2.073  -3.373
    3    HB3  PRO   8           HB3      PRO   8   3.129   3.659  -3.934
    4    HG2  PRO   8           HG2      PRO   8   2.355   2.787  -1.176
    5    HG3  PRO   8           HG3      PRO   8   3.723   3.792  -1.688
    6    HD2  PRO   8           HD2      PRO   8   1.426   4.825  -0.660
    7    HD3  PRO   8           HD3      PRO   8   2.435   5.690  -1.837

  No H/Q in entry =           7
  In of MODEL   15
    1    H    CYS   9           H        CYS   9  -0.033   2.872  -1.349
    2    HA   CYS   9           HA       CYS   9  -1.098   0.334  -2.320
    3    HB2  CYS   9           HB2      CYS   9   0.181   0.451  -0.173
    4    HB3  CYS   9           HB3      CYS   9  -1.117   1.434   0.495

  No H/Q in entry =           4
  In of MODEL   15
    1    H    CYS  10           H        CYS  10  -2.401   2.413  -3.473
    2    HA   CYS  10           HA       CYS  10  -5.088   1.891  -2.916
    3    HB2  CYS  10           HB2      CYS  10  -5.780   4.121  -2.029
    4    HB3  CYS  10           HB3      CYS  10  -4.835   3.169  -0.890

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ARG  11           H        ARG  11  -6.554   3.178  -4.253
    2    HA   ARG  11           HA       ARG  11  -5.193   4.050  -6.680
    3    HB2  ARG  11           HB2      ARG  11  -7.337   2.461  -6.374
    4    HB3  ARG  11           HB3      ARG  11  -8.155   4.008  -6.538
    5    HG2  ARG  11           HG2      ARG  11  -7.344   4.344  -8.700
    6    HG3  ARG  11           HG3      ARG  11  -6.078   3.129  -8.510
    7    HD2  ARG  11           HD2      ARG  11  -8.275   1.616  -8.096
    8    HD3  ARG  11           HD3      ARG  11  -8.924   2.816  -9.212
    9    HE   ARG  11           HE       ARG  11  -7.668   1.890 -10.888
   10   HH11  ARG  11          HH11      ARG  11  -6.504   0.710  -7.817
   11   HH12  ARG  11          HH12      ARG  11  -5.444  -0.461  -8.527
   12   HH21  ARG  11          HH21      ARG  11  -6.274   0.350 -11.824
   13   HH22  ARG  11          HH22      ARG  11  -5.313  -0.665 -10.801

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  12           H        GLN  12  -5.066   5.784  -4.397
    2    HA   GLN  12           HA       GLN  12  -5.222   7.997  -3.901
    3    HB2  GLN  12           HB2      GLN  12  -5.779   7.898  -6.806
    4    HB3  GLN  12           HB3      GLN  12  -6.235   9.376  -5.973
    5    HG2  GLN  12           HG2      GLN  12  -3.947   9.620  -5.150
    6    HG3  GLN  12           HG3      GLN  12  -3.491   8.139  -5.991
    7   HE21  GLN  12          HE21      GLN  12  -3.889   8.141  -8.361
    8   HE22  GLN  12          HE22      GLN  12  -3.583   9.606  -9.224

  No H/Q in entry =           8
  In of MODEL   15
    1    H    CYS  13           H        CYS  13  -7.692   6.059  -3.947
    2    HA   CYS  13           HA       CYS  13  -9.491   7.986  -2.813
    3    HB2  CYS  13           HB2      CYS  13  -9.931   6.904  -5.529
    4    HB3  CYS  13           HB3      CYS  13 -11.330   6.888  -4.461

  No H/Q in entry =           4
  In of MODEL   15
    1    H    LYS  14           H        LYS  14  -8.959   4.639  -3.864
    2    HA   LYS  14           HA       LYS  14 -10.395   3.781  -1.446
    3    HB2  LYS  14           HB2      LYS  14 -10.534   2.493  -4.178
    4    HB3  LYS  14           HB3      LYS  14 -11.213   1.806  -2.709
    5    HG2  LYS  14           HG2      LYS  14 -12.018   4.523  -3.684
    6    HG3  LYS  14           HG3      LYS  14 -12.784   3.052  -4.287
    7    HD2  LYS  14           HD2      LYS  14 -12.556   3.258  -1.357
    8    HD3  LYS  14           HD3      LYS  14 -13.635   4.428  -2.119
    9    HE2  LYS  14           HE2      LYS  14 -15.071   2.804  -2.890
   10    HE3  LYS  14           HE3      LYS  14 -13.824   1.558  -2.903
   11    HZ3  LYS  14           HZ1      LYS  14 -14.940   0.907  -1.068
   12    HZ2  LYS  14           HZ2      LYS  14 -15.535   2.451  -0.722
   13    HZ1  LYS  14           HZ3      LYS  14 -13.945   2.048  -0.312

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  15           H        LEU  15  -9.255   2.477  -0.171
    2    HA   LEU  15           HA       LEU  15  -6.592   1.944  -0.423
    3    HB2  LEU  15           HB2      LEU  15  -8.636   1.244   1.361
    4    HB3  LEU  15           HB3      LEU  15  -7.891  -0.275   0.898
    5    HG   LEU  15           HG       LEU  15  -5.800   1.567   1.467
    6   HD12  LEU  15          HD11      LEU  15  -7.232   1.297   3.998
    7   HD11  LEU  15          HD12      LEU  15  -8.006   2.391   2.852
    8   HD13  LEU  15          HD13      LEU  15  -6.334   2.664   3.338
    9   HD23  LEU  15          HD21      LEU  15  -6.676  -0.649   3.279
   10   HD22  LEU  15          HD22      LEU  15  -5.044  -0.123   2.865
   11   HD21  LEU  15          HD23      LEU  15  -6.016  -0.997   1.682

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  16           H        LYS  16  -5.352   0.598  -1.569
    2    HA   LYS  16           HA       LYS  16  -6.335  -0.835  -3.734
    3    HB2  LYS  16           HB2      LYS  16  -3.742  -0.559  -2.369
    4    HB3  LYS  16           HB3      LYS  16  -3.942  -2.076  -3.235
    5    HG2  LYS  16           HG2      LYS  16  -4.555  -0.765  -5.260
    6    HG3  LYS  16           HG3      LYS  16  -4.153   0.703  -4.367
    7    HD2  LYS  16           HD2      LYS  16  -1.873   0.032  -4.146
    8    HD3  LYS  16           HD3      LYS  16  -2.227  -1.578  -4.773
    9    HE2  LYS  16           HE2      LYS  16  -2.406  -0.841  -6.944
   10    HE3  LYS  16           HE3      LYS  16  -2.841   0.799  -6.463
   11    HZ1  LYS  16           HZ1      LYS  16  -0.174  -0.112  -5.729
   12    HZ3  LYS  16           HZ2      LYS  16  -0.690   1.407  -6.263
   13    HZ2  LYS  16           HZ3      LYS  16  -0.448   0.158  -7.377

  No H/Q in entry =          13
  In of MODEL   15
    1    HA   PRO  17           HA       PRO  17  -7.632  -4.793  -2.300
    2    HB2  PRO  17           HB2      PRO  17  -6.278  -6.573  -3.876
    3    HB3  PRO  17           HB3      PRO  17  -7.667  -5.632  -4.428
    4    HG2  PRO  17           HG2      PRO  17  -4.748  -5.123  -4.842
    5    HG3  PRO  17           HG3      PRO  17  -6.088  -4.959  -5.992
    6    HD2  PRO  17           HD2      PRO  17  -5.006  -2.829  -4.749
    7    HD3  PRO  17           HD3      PRO  17  -6.737  -2.911  -5.138

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  18           H        ALA  18  -7.141  -5.842  -0.486
    2    HA   ALA  18           HA       ALA  18  -4.692  -5.753   0.808
    3    HB2  ALA  18           HB1      ALA  18  -6.396  -8.114   1.343
    4    HB1  ALA  18           HB2      ALA  18  -7.138  -6.527   1.549
    5    HB3  ALA  18           HB3      ALA  18  -5.687  -6.948   2.460

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  19           H        GLY  19  -2.880  -6.418  -0.224
    2    HA3  GLY  19           HA2      GLY  19  -1.754  -8.776  -0.202
    3    HA2  GLY  19           HA3      GLY  19  -2.874  -9.044  -1.529

  No H/Q in entry =           3
  In of MODEL   15
    1    H    THR  20           H        THR  20  -2.406  -6.017  -2.110
    2    HA   THR  20           HA       THR  20  -0.653  -6.339  -4.252
    3    HB   THR  20           HB       THR  20  -0.732  -3.631  -3.103
    4    HG1  THR  20           HG1      THR  20  -3.117  -5.036  -3.697
    5   HG22  THR  20          HG21      THR  20  -2.034  -3.454  -5.437
    6   HG21  THR  20          HG22      THR  20  -1.085  -4.913  -5.725
    7   HG23  THR  20          HG23      THR  20  -0.277  -3.407  -5.289

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR  21           H        THR  21   1.356  -4.831  -4.473
    2    HA   THR  21           HA       THR  21   3.066  -5.282  -2.115
    3    HB   THR  21           HB       THR  21   4.691  -5.066  -4.428
    4    HG1  THR  21           HG1      THR  21   3.079  -5.676  -5.773
    5   HG22  THR  21          HG21      THR  21   5.149  -7.487  -3.971
    6   HG21  THR  21          HG22      THR  21   3.951  -7.390  -2.680
    7   HG23  THR  21          HG23      THR  21   5.404  -6.392  -2.612

  No H/Q in entry =           7
  In of MODEL   15
    1    H    CYS  22           H        CYS  22   4.572  -3.707  -1.568
    2    HA   CYS  22           HA       CYS  22   4.030  -1.065  -2.728
    3    HB2  CYS  22           HB2      CYS  22   3.734  -1.570  -0.214
    4    HB3  CYS  22           HB3      CYS  22   5.492  -1.552  -0.144

  No H/Q in entry =           4
  In of MODEL   15
    1    H    TRP  23           H        TRP  23   6.814  -2.696  -1.200
    2    HA   TRP  23           HA       TRP  23   8.506  -1.615  -3.354
    3    HB2  TRP  23           HB2      TRP  23   8.634  -0.600  -0.894
    4    HB3  TRP  23           HB3      TRP  23   9.678  -1.995  -0.641
    5    HD1  TRP  23           HD1      TRP  23   9.587   0.114  -3.871
    6    HE1  TRP  23           HE1      TRP  23  11.915   1.158  -4.214
    7    HE3  TRP  23           HE3      TRP  23  11.797  -1.376   0.492
    8    HZ2  TRP  23           HZ2      TRP  23  14.363   1.326  -2.821
    9    HZ3  TRP  23           HZ3      TRP  23  14.135  -0.732   0.909
   10    HH2  TRP  23           HH2      TRP  23  15.390   0.590  -0.714

  No H/Q in entry =          10
  In of MODEL   15
    1    H    ARG  24           H        ARG  24  10.184  -2.913  -4.072
    2    HA   ARG  24           HA       ARG  24  11.061  -5.280  -2.849
    3    HB2  ARG  24           HB2      ARG  24  10.016  -6.917  -4.452
    4    HB3  ARG  24           HB3      ARG  24   8.916  -6.232  -3.264
    5    HG2  ARG  24           HG2      ARG  24   7.575  -5.844  -5.001
    6    HG3  ARG  24           HG3      ARG  24   8.653  -4.492  -5.353
    7    HD2  ARG  24           HD2      ARG  24   9.966  -6.590  -6.513
    8    HD3  ARG  24           HD3      ARG  24   8.277  -7.026  -6.772
    9    HE   ARG  24           HE       ARG  24   9.727  -4.987  -8.107
   10   HH11  ARG  24          HH11      ARG  24   6.561  -5.745  -6.850
   11   HH12  ARG  24          HH12      ARG  24   5.733  -4.714  -7.967
   12   HH21  ARG  24          HH21      ARG  24   8.639  -3.630  -9.578
   13   HH22  ARG  24          HH22      ARG  24   6.912  -3.513  -9.517

  No H/Q in entry =          13
  In of MODEL   15
    1    H    THR  25           H        THR  25  13.089  -4.845  -3.519
    2    HA   THR  25           HA       THR  25  13.543  -4.562  -6.415
    3    HB   THR  25           HB       THR  25  15.751  -3.550  -5.717
    4    HG1  THR  25           HG1      THR  25  15.690  -4.383  -3.556
    5   HG22  THR  25          HG21      THR  25  14.673  -1.414  -4.757
    6   HG21  THR  25          HG22      THR  25  13.148  -2.243  -5.070
    7   HG23  THR  25          HG23      THR  25  14.267  -1.923  -6.396

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  26           H        SER  26  14.534  -6.224  -3.489
    2    HA   SER  26           HA       SER  26  15.278  -8.573  -4.811
    3    HB2  SER  26           HB2      SER  26  17.747  -8.503  -4.452
    4    HB3  SER  26           HB3      SER  26  17.188  -7.347  -5.661
    5    HG   SER  26           HG       SER  26  18.254  -5.974  -4.475

  No H/Q in entry =           5
  In of MODEL   15
    1    H    VAL  27           H        VAL  27  15.853  -6.493  -2.028
    2    HA   VAL  27           HA       VAL  27  15.869  -8.874  -0.297
    3    HB   VAL  27           HB       VAL  27  17.867  -7.451  -0.100
    4   HG13  VAL  27          HG11      VAL  27  17.753  -5.209   0.765
    5   HG12  VAL  27          HG12      VAL  27  15.999  -5.314   0.915
    6   HG11  VAL  27          HG13      VAL  27  16.749  -5.316  -0.681
    7   HG21  VAL  27          HG21      VAL  27  16.029  -8.025   2.116
    8   HG23  VAL  27          HG22      VAL  27  17.284  -6.840   2.481
    9   HG22  VAL  27          HG23      VAL  27  17.729  -8.448   1.909

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  28           H        SER  28  14.330  -5.787  -0.902
    2    HA   SER  28           HA       SER  28  12.620  -6.004   1.428
    3    HB2  SER  28           HB2      SER  28  12.818  -3.990  -0.813
    4    HB3  SER  28           HB3      SER  28  11.560  -3.916   0.420
    5    HG   SER  28           HG       SER  28  13.068  -3.523   1.953

  No H/Q in entry =           5
  In of MODEL   15
    1    H    SER  29           H        SER  29  10.281  -5.996   1.264
    2    HA   SER  29           HA       SER  29   8.916  -6.595  -1.136
    3    HB2  SER  29           HB2      SER  29  10.303  -8.765  -0.414
    4    HB3  SER  29           HB3      SER  29   8.884  -9.012   0.603
    5    HG   SER  29           HG       SER  29   7.651  -8.669  -1.405

  No H/Q in entry =           5
  In of MODEL   15
    1    H    HIS  30           H        HIS  30   7.759  -4.863  -0.044
    2    HA   HIS  30           HA       HIS  30   6.246  -5.591   2.331
    3    HB2  HIS  30           HB2      HIS  30   6.490  -3.041   0.739
    4    HB3  HIS  30           HB3      HIS  30   5.337  -3.226   2.057
    5    HD1  HIS  30           HD1      HIS  30   6.497  -1.458   3.514
    6    HD2  HIS  30           HD2      HIS  30   8.953  -4.641   2.464
    7    HE1  HIS  30           HE1      HIS  30   8.534  -1.246   4.974
    8    HE2  HIS  30           HE2      HIS  30   9.967  -3.231   4.380

  No H/Q in entry =           8
  In of MODEL   15
    1    H    TYR  31           H        TYR  31   4.034  -5.831   2.423
    2    HA   TYR  31           HA       TYR  31   2.655  -6.015  -0.176
    3    HB2  TYR  31           HB2      TYR  31   2.573  -7.812   2.226
    4    HB3  TYR  31           HB3      TYR  31   1.193  -7.731   1.136
    5    HD1  TYR  31           HD1      TYR  31   4.269  -9.326   1.785
    6    HD2  TYR  31           HD2      TYR  31   1.747  -8.075  -1.404
    7    HE1  TYR  31           HE1      TYR  31   5.361 -10.947   0.293
    8    HE2  TYR  31           HE2      TYR  31   2.831  -9.692  -2.905
    9    HH   TYR  31           HH       TYR  31   4.102 -11.835  -2.695

  No H/Q in entry =           9
  In of MODEL   15
    1    H    CYS  32           H        CYS  32   0.274  -5.759  -0.038
    2    HA   CYS  32           HA       CYS  32  -0.359  -3.522   1.716
    3    HB2  CYS  32           HB2      CYS  32  -1.493  -4.614  -0.823
    4    HB3  CYS  32           HB3      CYS  32  -2.543  -3.665   0.225

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR  33           H        THR  33  -1.480  -3.769   3.516
    2    HA   THR  33           HA       THR  33  -2.663  -6.318   4.173
    3    HB   THR  33           HB       THR  33  -1.480  -5.213   5.928
    4    HG1  THR  33           HG1      THR  33  -3.207  -4.897   7.464
    5   HG21  THR  33          HG21      THR  33  -2.790  -2.829   4.927
    6   HG23  THR  33          HG22      THR  33  -1.317  -3.001   5.882
    7   HG22  THR  33          HG23      THR  33  -2.889  -2.980   6.682

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  34           H        GLY  34  -3.769  -3.881   2.320
    2    HA3  GLY  34           HA2      GLY  34  -5.849  -3.155   1.677
    3    HA2  GLY  34           HA3      GLY  34  -6.420  -4.707   2.268

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ARG  35           H        ARG  35  -4.866  -2.573   4.502
    2    HA   ARG  35           HA       ARG  35  -7.493  -1.950   5.683
    3    HB2  ARG  35           HB2      ARG  35  -4.903  -2.791   6.885
    4    HB3  ARG  35           HB3      ARG  35  -5.886  -1.649   7.791
    5    HG2  ARG  35           HG2      ARG  35  -7.520  -3.172   8.215
    6    HG3  ARG  35           HG3      ARG  35  -7.224  -4.070   6.725
    7    HD2  ARG  35           HD2      ARG  35  -5.598  -5.352   7.658
    8    HD3  ARG  35           HD3      ARG  35  -5.060  -4.071   8.744
    9    HE   ARG  35           HE       ARG  35  -6.438  -4.928  10.343
   10   HH11  ARG  35          HH11      ARG  35  -7.533  -6.068   7.232
   11   HH12  ARG  35          HH12      ARG  35  -8.744  -7.109   7.900
   12   HH21  ARG  35          HH21      ARG  35  -8.031  -6.298  11.223
   13   HH22  ARG  35          HH22      ARG  35  -9.027  -7.240  10.166

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  36           H        SER  36  -4.295  -0.735   4.903
    2    HA   SER  36           HA       SER  36  -5.331   1.977   4.898
    3    HB2  SER  36           HB2      SER  36  -3.168   1.025   6.757
    4    HB3  SER  36           HB3      SER  36  -3.187   2.693   6.184
    5    HG   SER  36           HG       SER  36  -4.927   3.091   7.346

  No H/Q in entry =           5
  In of MODEL   15
    1    H    CYS  37           H        CYS  37  -4.299   3.298   3.434
    2    HA   CYS  37           HA       CYS  37  -2.718   2.017   1.444
    3    HB2  CYS  37           HB2      CYS  37  -4.285   3.837   0.899
    4    HB3  CYS  37           HB3      CYS  37  -3.297   4.963   1.825

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLU  38           H        GLU  38  -1.982   3.669   4.353
    2    HA   GLU  38           HA       GLU  38   0.604   4.624   3.689
    3    HB2  GLU  38           HB2      GLU  38  -1.028   5.005   5.795
    4    HB3  GLU  38           HB3      GLU  38   0.055   3.804   6.485
    5    HG2  GLU  38           HG2      GLU  38   1.337   6.053   5.076
    6    HG3  GLU  38           HG3      GLU  38   0.502   6.443   6.579

  No H/Q in entry =           6
  In of MODEL   15
    1    H    CYS  39           H        CYS  39   1.934   3.142   2.766
    2    HA   CYS  39           HA       CYS  39   2.150   0.445   3.355
    3    HB2  CYS  39           HB2      CYS  39   4.097   2.433   2.220
    4    HB3  CYS  39           HB3      CYS  39   4.564   0.755   2.472

  No H/Q in entry =           4
  In of MODEL   15
    1    HA   PRO  40           HA       PRO  40   3.888   0.925   7.509
    2    HB2  PRO  40           HB2      PRO  40   3.674  -1.696   8.190
    3    HB3  PRO  40           HB3      PRO  40   2.310  -0.573   8.249
    4    HG2  PRO  40           HG2      PRO  40   3.030  -2.569   6.136
    5    HG3  PRO  40           HG3      PRO  40   1.441  -2.200   6.831
    6    HD2  PRO  40           HD2      PRO  40   2.237  -1.229   4.436
    7    HD3  PRO  40           HD3      PRO  40   1.164  -0.322   5.522

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  41           H        SER  41   5.611  -0.425   8.716
    2    HA   SER  41           HA       SER  41   7.774  -0.977   6.811
    3    HB2  SER  41           HB2      SER  41   7.705   0.006   9.641
    4    HB3  SER  41           HB3      SER  41   9.150  -0.811   9.044
    5    HG   SER  41           HG       SER  41   8.139   1.680   8.427

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  42           H        TYR  42   5.792  -2.953   7.249
    2    HA   TYR  42           HA       TYR  42   7.307  -4.985   8.752
    3    HB2  TYR  42           HB2      TYR  42   4.353  -5.017   8.104
    4    HB3  TYR  42           HB3      TYR  42   5.221  -6.156   9.128
    5    HD1  TYR  42           HD1      TYR  42   3.125  -3.385   9.165
    6    HD2  TYR  42           HD2      TYR  42   6.563  -4.949  11.122
    7    HE1  TYR  42           HE1      TYR  42   2.642  -1.979  11.124
    8    HE2  TYR  42           HE2      TYR  42   6.089  -3.548  13.087
    9    HH   TYR  42           HH       TYR  42   3.218  -2.140  13.693

  No H/Q in entry =           9
  In of MODEL   15
    1    HA   PRO  43           HA       PRO  43   7.930  -6.135   4.318
    2    HB2  PRO  43           HB2      PRO  43   9.847  -7.895   5.774
    3    HB3  PRO  43           HB3      PRO  43  10.086  -6.944   4.303
    4    HG2  PRO  43           HG2      PRO  43  11.095  -6.124   6.624
    5    HG3  PRO  43           HG3      PRO  43  10.400  -4.966   5.474
    6    HD2  PRO  43           HD2      PRO  43   9.261  -6.030   8.019
    7    HD3  PRO  43           HD3      PRO  43   9.108  -4.413   7.300

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  44           H        GLY  44   7.286  -7.967   3.208
    2    HA3  GLY  44           HA2      GLY  44   5.518  -9.734   4.612
    3    HA2  GLY  44           HA3      GLY  44   5.891  -9.780   2.896

  No H/Q in entry =           3
  In of MODEL   16
    1    H1   ALA   1           H1       ALA   1  -9.892   8.609   0.175
    2    H2   ALA   1           H3       ALA   1 -10.245   8.452   1.845
    3    H3   ALA   1           H2       ALA   1  -9.834   7.065   0.922
    4    HA   ALA   1           HA       ALA   1 -11.793   7.129  -0.268
    5    HB2  ALA   1           HB1      ALA   1 -13.294   6.561   1.385
    6    HB1  ALA   1           HB2      ALA   1 -12.770   7.860   2.457
    7    HB3  ALA   1           HB3      ALA   1 -11.759   6.430   2.243

  No H/Q in entry =           7
  In of MODEL   16
    1    H    MET   2           H        MET   2 -12.024   9.815   2.074
    2    HA   MET   2           HA       MET   2 -14.061  11.159   0.640
    3    HB2  MET   2           HB2      MET   2 -13.133  11.368   3.148
    4    HB3  MET   2           HB3      MET   2 -12.276  12.723   2.425
    5    HG2  MET   2           HG2      MET   2 -14.541  13.476   1.546
    6    HG3  MET   2           HG3      MET   2 -15.234  12.298   2.660
    7    HE2  MET   2           HE1      MET   2 -15.934  15.707   4.455
    8    HE1  MET   2           HE2      MET   2 -16.634  14.284   3.683
    9    HE3  MET   2           HE3      MET   2 -15.849  15.523   2.703

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP   3           H        ASP   3 -10.705  12.234   1.209
    2    HA   ASP   3           HA       ASP   3 -10.835  13.697  -1.336
    3    HB2  ASP   3           HB2      ASP   3  -8.939  15.017  -0.460
    4    HB3  ASP   3           HB3      ASP   3 -10.342  15.094   0.600

  No H/Q in entry =           4
  In of MODEL   16
    1    H    CYS   4           H        CYS   4 -10.355  10.849  -1.195
    2    HA   CYS   4           HA       CYS   4  -9.005   9.270  -2.119
    3    HB2  CYS   4           HB2      CYS   4  -7.889  11.763  -3.388
    4    HB3  CYS   4           HB3      CYS   4  -7.226  10.171  -3.743

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR   5           H        THR   5  -7.793   8.187  -0.716
    2    HA   THR   5           HA       THR   5  -5.913   9.386   1.028
    3    HB   THR   5           HB       THR   5  -5.231   6.962   1.444
    4    HG1  THR   5           HG1      THR   5  -6.022   6.300  -0.695
    5   HG21  THR   5          HG21      THR   5  -7.495   8.344   2.278
    6   HG23  THR   5          HG22      THR   5  -6.783   6.909   3.016
    7   HG22  THR   5          HG23      THR   5  -8.070   6.740   1.822

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR   6           H        THR   6  -4.248  10.438   0.071
    2    HA   THR   6           HA       THR   6  -2.853   9.446  -2.205
    3    HB   THR   6           HB       THR   6  -1.272  11.295  -1.760
    4    HG1  THR   6           HG1      THR   6  -2.873  11.821   0.516
    5   HG23  THR   6          HG21      THR   6  -2.913  12.248  -2.983
    6   HG22  THR   6          HG22      THR   6  -3.159  13.140  -1.482
    7   HG21  THR   6          HG23      THR   6  -4.187  11.759  -1.865

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY   7           H        GLY   7  -1.156   8.114  -2.336
    2    HA3  GLY   7           HA2      GLY   7   1.036   7.794  -0.840
    3    HA2  GLY   7           HA3      GLY   7  -0.150   6.920   0.118

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO   8           HA       PRO   8   1.661   4.297  -3.440
    2    HB2  PRO   8           HB2      PRO   8   3.328   2.713  -1.996
    3    HB3  PRO   8           HB3      PRO   8   3.849   4.229  -2.739
    4    HG2  PRO   8           HG2      PRO   8   3.058   3.683   0.096
    5    HG3  PRO   8           HG3      PRO   8   4.412   4.648  -0.522
    6    HD2  PRO   8           HD2      PRO   8   2.112   5.769   0.359
    7    HD3  PRO   8           HD3      PRO   8   3.077   6.478  -0.952

  No H/Q in entry =           7
  In of MODEL   16
    1    H    CYS   9           H        CYS   9   0.959   3.392  -0.076
    2    HA   CYS   9           HA       CYS   9   0.158   0.756  -0.540
    3    HB2  CYS   9           HB2      CYS   9   0.410   2.345   1.670
    4    HB3  CYS   9           HB3      CYS   9  -1.338   2.173   1.562

  No H/Q in entry =           4
  In of MODEL   16
    1    H    CYS  10           H        CYS  10  -1.484   3.759  -1.106
    2    HA   CYS  10           HA       CYS  10  -4.057   2.444  -1.479
    3    HB2  CYS  10           HB2      CYS  10  -3.307   5.354  -1.814
    4    HB3  CYS  10           HB3      CYS  10  -4.940   4.696  -1.828

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ARG  11           H        ARG  11  -5.309   3.039  -3.479
    2    HA   ARG  11           HA       ARG  11  -3.611   2.558  -5.805
    3    HB2  ARG  11           HB2      ARG  11  -5.756   1.218  -5.159
    4    HB3  ARG  11           HB3      ARG  11  -6.610   2.578  -5.875
    5    HG2  ARG  11           HG2      ARG  11  -4.434   1.401  -7.485
    6    HG3  ARG  11           HG3      ARG  11  -5.876   0.410  -7.253
    7    HD2  ARG  11           HD2      ARG  11  -7.002   2.791  -7.854
    8    HD3  ARG  11           HD3      ARG  11  -5.508   2.902  -8.783
    9    HE   ARG  11           HE       ARG  11  -6.317   1.307 -10.211
   10   HH11  ARG  11          HH11      ARG  11  -8.247   1.300  -7.304
   11   HH12  ARG  11          HH12      ARG  11  -9.431   0.211  -7.943
   12   HH21  ARG  11          HH21      ARG  11  -7.873  -0.126 -11.054
   13   HH22  ARG  11          HH22      ARG  11  -9.219  -0.599 -10.072

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  12           H        GLN  12  -3.357   5.107  -4.855
    2    HA   GLN  12           HA       GLN  12  -3.210   7.219  -5.701
    3    HB2  GLN  12           HB2      GLN  12  -5.075   6.459  -7.937
    4    HB3  GLN  12           HB3      GLN  12  -3.856   7.725  -7.915
    5    HG2  GLN  12           HG2      GLN  12  -2.194   5.752  -7.613
    6    HG3  GLN  12           HG3      GLN  12  -3.521   4.780  -8.248
    7   HE21  GLN  12          HE21      GLN  12  -0.809   6.395  -9.081
    8   HE22  GLN  12          HE22      GLN  12  -1.154   6.726 -10.741

  No H/Q in entry =           8
  In of MODEL   16
    1    H    CYS  13           H        CYS  13  -5.831   5.813  -4.403
    2    HA   CYS  13           HA       CYS  13  -7.007   8.211  -3.568
    3    HB2  CYS  13           HB2      CYS  13  -7.809   8.357  -5.885
    4    HB3  CYS  13           HB3      CYS  13  -8.571   6.779  -5.724

  No H/Q in entry =           4
  In of MODEL   16
    1    H    LYS  14           H        LYS  14  -7.523   4.777  -4.233
    2    HA   LYS  14           HA       LYS  14  -8.920   4.585  -1.644
    3    HB2  LYS  14           HB2      LYS  14 -10.126   4.083  -3.985
    4    HB3  LYS  14           HB3      LYS  14  -9.407   2.504  -3.705
    5    HG2  LYS  14           HG2      LYS  14 -10.557   2.295  -1.604
    6    HG3  LYS  14           HG3      LYS  14 -11.179   3.941  -1.741
    7    HD2  LYS  14           HD2      LYS  14 -11.763   1.825  -3.796
    8    HD3  LYS  14           HD3      LYS  14 -12.768   2.050  -2.363
    9    HE2  LYS  14           HE2      LYS  14 -13.512   4.128  -3.050
   10    HE3  LYS  14           HE3      LYS  14 -12.123   4.390  -4.104
   11    HZ3  LYS  14           HZ1      LYS  14 -13.065   3.233  -5.789
   12    HZ2  LYS  14           HZ2      LYS  14 -14.492   3.739  -5.035
   13    HZ1  LYS  14           HZ3      LYS  14 -13.905   2.176  -4.768

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  15           H        LEU  15  -8.240   3.063  -0.228
    2    HA   LEU  15           HA       LEU  15  -5.683   2.079  -0.255
    3    HB2  LEU  15           HB2      LEU  15  -8.051   0.750   1.063
    4    HB3  LEU  15           HB3      LEU  15  -6.367   0.538   1.504
    5    HG   LEU  15           HG       LEU  15  -7.469   3.300   1.584
    6   HD12  LEU  15          HD11      LEU  15  -8.146   2.741   4.006
    7   HD11  LEU  15          HD12      LEU  15  -8.258   1.078   3.429
    8   HD13  LEU  15          HD13      LEU  15  -9.260   2.334   2.701
    9   HD21  LEU  15          HD21      LEU  15  -5.439   1.684   3.092
   10   HD23  LEU  15          HD22      LEU  15  -6.027   3.233   3.695
   11   HD22  LEU  15          HD23      LEU  15  -5.202   3.149   2.139

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  16           H        LYS  16  -4.646   0.577  -1.387
    2    HA   LYS  16           HA       LYS  16  -5.847  -0.945  -3.399
    3    HB2  LYS  16           HB2      LYS  16  -3.176  -1.023  -2.044
    4    HB3  LYS  16           HB3      LYS  16  -3.615  -2.302  -3.167
    5    HG2  LYS  16           HG2      LYS  16  -3.701  -0.850  -4.982
    6    HG3  LYS  16           HG3      LYS  16  -3.834   0.578  -3.953
    7    HD2  LYS  16           HD2      LYS  16  -1.571   0.530  -3.389
    8    HD3  LYS  16           HD3      LYS  16  -1.393  -1.160  -3.865
    9    HE2  LYS  16           HE2      LYS  16  -2.096   0.948  -5.877
   10    HE3  LYS  16           HE3      LYS  16  -0.421   0.674  -5.400
   11    HZ2  LYS  16           HZ1      LYS  16  -1.393  -0.582  -7.419
   12    HZ1  LYS  16           HZ2      LYS  16  -2.086  -1.596  -6.256
   13    HZ3  LYS  16           HZ3      LYS  16  -0.406  -1.417  -6.326

  No H/Q in entry =          13
  In of MODEL   16
    1    HA   PRO  17           HA       PRO  17  -7.602  -4.579  -1.656
    2    HB2  PRO  17           HB2      PRO  17  -5.693  -6.165  -3.311
    3    HB3  PRO  17           HB3      PRO  17  -7.451  -6.293  -3.189
    4    HG2  PRO  17           HG2      PRO  17  -6.319  -5.148  -5.308
    5    HG3  PRO  17           HG3      PRO  17  -7.814  -4.496  -4.610
    6    HD2  PRO  17           HD2      PRO  17  -5.020  -3.471  -4.411
    7    HD3  PRO  17           HD3      PRO  17  -6.551  -2.575  -4.487

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  18           H        ALA  18  -7.202  -5.280   0.340
    2    HA   ALA  18           HA       ALA  18  -4.833  -5.229   1.704
    3    HB1  ALA  18           HB1      ALA  18  -6.974  -5.538   2.804
    4    HB2  ALA  18           HB2      ALA  18  -5.845  -6.801   3.297
    5    HB3  ALA  18           HB3      ALA  18  -7.112  -7.159   2.123

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  19           H        GLY  19  -2.961  -6.146   1.186
    2    HA3  GLY  19           HA2      GLY  19  -1.717  -8.259   1.330
    3    HA2  GLY  19           HA3      GLY  19  -2.990  -8.982   0.358

  No H/Q in entry =           3
  In of MODEL   16
    1    H    THR  20           H        THR  20  -2.056  -5.805  -0.532
    2    HA   THR  20           HA       THR  20  -0.517  -6.901  -2.791
    3    HB   THR  20           HB       THR  20  -2.195  -4.386  -2.688
    4    HG1  THR  20           HG1      THR  20  -2.627  -6.926  -3.856
    5   HG23  THR  20          HG21      THR  20  -1.671  -3.916  -4.854
    6   HG22  THR  20          HG22      THR  20  -1.217  -5.579  -5.225
    7   HG21  THR  20          HG23      THR  20  -0.128  -4.556  -4.288

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR  21           H        THR  21   1.582  -6.512  -2.601
    2    HA   THR  21           HA       THR  21   2.784  -4.786  -0.791
    3    HB   THR  21           HB       THR  21   4.133  -6.493  -1.692
    4    HG1  THR  21           HG1      THR  21   5.032  -4.171  -3.040
    5   HG22  THR  21          HG21      THR  21   4.506  -5.725  -4.414
    6   HG21  THR  21          HG22      THR  21   2.793  -6.012  -4.107
    7   HG23  THR  21          HG23      THR  21   3.976  -7.270  -3.750

  No H/Q in entry =           7
  In of MODEL   16
    1    H    CYS  22           H        CYS  22   3.157  -2.666  -0.733
    2    HA   CYS  22           HA       CYS  22   2.118  -0.976  -2.804
    3    HB2  CYS  22           HB2      CYS  22   2.914   0.875  -1.332
    4    HB3  CYS  22           HB3      CYS  22   1.865  -0.275  -0.509

  No H/Q in entry =           4
  In of MODEL   16
    1    H    TRP  23           H        TRP  23   5.296  -2.007  -1.732
    2    HA   TRP  23           HA       TRP  23   6.444  -0.699  -4.102
    3    HB2  TRP  23           HB2      TRP  23   7.013   0.592  -2.058
    4    HB3  TRP  23           HB3      TRP  23   7.772  -0.848  -1.387
    5    HD1  TRP  23           HD1      TRP  23   8.150   1.132  -4.720
    6    HE1  TRP  23           HE1      TRP  23  10.666   1.352  -5.216
    7    HE3  TRP  23           HE3      TRP  23  10.000  -1.392  -0.677
    8    HZ2  TRP  23           HZ2      TRP  23  13.111   0.560  -4.048
    9    HZ3  TRP  23           HZ3      TRP  23  12.438  -1.616  -0.441
   10    HH2  TRP  23           HH2      TRP  23  13.961  -0.660  -2.093

  No H/Q in entry =          10
  In of MODEL   16
    1    H    ARG  24           H        ARG  24   6.924  -2.355  -5.400
    2    HA   ARG  24           HA       ARG  24   8.120  -4.771  -4.232
    3    HB2  ARG  24           HB2      ARG  24   7.505  -5.894  -6.312
    4    HB3  ARG  24           HB3      ARG  24   6.102  -5.126  -5.582
    5    HG2  ARG  24           HG2      ARG  24   6.355  -3.241  -7.151
    6    HG3  ARG  24           HG3      ARG  24   7.701  -4.089  -7.913
    7    HD2  ARG  24           HD2      ARG  24   5.960  -6.034  -8.119
    8    HD3  ARG  24           HD3      ARG  24   4.786  -4.731  -7.944
    9    HE   ARG  24           HE       ARG  24   6.409  -5.298 -10.235
   10   HH11  ARG  24          HH11      ARG  24   4.734  -2.773  -8.503
   11   HH12  ARG  24          HH12      ARG  24   4.545  -1.768  -9.901
   12   HH21  ARG  24          HH21      ARG  24   6.161  -3.977 -12.074
   13   HH22  ARG  24          HH22      ARG  24   5.355  -2.451 -11.928

  No H/Q in entry =          13
  In of MODEL   16
    1    H    THR  25           H        THR  25   9.966  -5.726  -5.217
    2    HA   THR  25           HA       THR  25  11.428  -4.277  -7.231
    3    HB   THR  25           HB       THR  25  13.468  -4.074  -5.725
    4    HG1  THR  25           HG1      THR  25  13.209  -4.247  -3.595
    5   HG21  THR  25          HG21      THR  25  11.935  -2.154  -6.371
    6   HG23  THR  25          HG22      THR  25  12.941  -1.942  -4.938
    7   HG22  THR  25          HG23      THR  25  11.230  -2.332  -4.765

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  26           H        SER  26  12.599  -6.341  -4.609
    2    HA   SER  26           HA       SER  26  12.512  -8.778  -5.989
    3    HB2  SER  26           HB2      SER  26  14.670  -9.061  -6.875
    4    HB3  SER  26           HB3      SER  26  14.233  -7.423  -7.363
    5    HG   SER  26           HG       SER  26  15.655  -6.610  -5.984

  No H/Q in entry =           5
  In of MODEL   16
    1    H    VAL  27           H        VAL  27  14.302  -6.790  -3.699
    2    HA   VAL  27           HA       VAL  27  14.312  -9.072  -1.839
    3    HB   VAL  27           HB       VAL  27  16.470  -8.163  -0.914
    4   HG12  VAL  27          HG11      VAL  27  17.041  -8.915  -3.722
    5   HG11  VAL  27          HG12      VAL  27  16.069 -10.034  -2.766
    6   HG13  VAL  27          HG13      VAL  27  17.681  -9.575  -2.218
    7   HG21  VAL  27          HG21      VAL  27  16.032  -5.954  -2.294
    8   HG23  VAL  27          HG22      VAL  27  16.955  -6.819  -3.523
    9   HG22  VAL  27          HG23      VAL  27  17.668  -6.508  -1.940

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  28           H        SER  28  12.440  -6.850  -2.113
    2    HA   SER  28           HA       SER  28  12.214  -6.135   0.613
    3    HB2  SER  28           HB2      SER  28  14.076  -4.581  -0.263
    4    HB3  SER  28           HB3      SER  28  12.789  -3.756  -1.143
    5    HG   SER  28           HG       SER  28  11.757  -3.387   0.855

  No H/Q in entry =           5
  In of MODEL   16
    1    H    SER  29           H        SER  29  10.103  -6.019   0.961
    2    HA   SER  29           HA       SER  29   8.355  -4.494  -0.723
    3    HB2  SER  29           HB2      SER  29   8.450  -7.462  -0.940
    4    HB3  SER  29           HB3      SER  29   6.861  -6.699  -0.944
    5    HG   SER  29           HG       SER  29   7.236  -5.952  -2.875

  No H/Q in entry =           5
  In of MODEL   16
    1    H    HIS  30           H        HIS  30   6.115  -4.490   0.098
    2    HA   HIS  30           HA       HIS  30   5.722  -5.563   2.769
    3    HB2  HIS  30           HB2      HIS  30   5.438  -2.594   2.288
    4    HB3  HIS  30           HB3      HIS  30   5.264  -3.450   3.816
    5    HD1  HIS  30           HD1      HIS  30   7.330  -3.723   5.206
    6    HD2  HIS  30           HD2      HIS  30   8.174  -2.506   1.323
    7    HE1  HIS  30           HE1      HIS  30   9.789  -3.195   5.186
    8    HE2  HIS  30           HE2      HIS  30  10.294  -2.545   2.805

  No H/Q in entry =           8
  In of MODEL   16
    1    H    TYR  31           H        TYR  31   3.867  -6.615   2.451
    2    HA   TYR  31           HA       TYR  31   1.919  -5.987   0.545
    3    HB2  TYR  31           HB2      TYR  31   1.925  -7.692   3.016
    4    HB3  TYR  31           HB3      TYR  31   0.433  -7.446   2.114
    5    HD1  TYR  31           HD1      TYR  31   2.790  -9.785   2.600
    6    HD2  TYR  31           HD2      TYR  31   1.116  -7.587  -0.635
    7    HE1  TYR  31           HE1      TYR  31   3.437 -11.583   1.052
    8    HE2  TYR  31           HE2      TYR  31   1.758  -9.379  -2.192
    9    HH   TYR  31           HH       TYR  31   2.798 -12.446  -1.138

  No H/Q in entry =           9
  In of MODEL   16
    1    H    CYS  32           H        CYS  32   0.147  -4.717   0.544
    2    HA   CYS  32           HA       CYS  32  -0.114  -2.771   2.662
    3    HB2  CYS  32           HB2      CYS  32  -0.326  -2.300   0.155
    4    HB3  CYS  32           HB3      CYS  32  -1.917  -3.046   0.261

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR  33           H        THR  33  -1.812  -2.529   4.062
    2    HA   THR  33           HA       THR  33  -3.413  -4.899   4.527
    3    HB   THR  33           HB       THR  33  -4.125  -3.706   6.585
    4    HG1  THR  33           HG1      THR  33  -3.053  -1.728   7.049
    5   HG22  THR  33          HG21      THR  33  -1.210  -3.289   6.634
    6   HG21  THR  33          HG22      THR  33  -1.768  -4.908   6.212
    7   HG23  THR  33          HG23      THR  33  -2.255  -4.178   7.742

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  34           H        GLY  34  -3.792  -2.340   2.530
    2    HA3  GLY  34           HA2      GLY  34  -5.586  -1.314   1.533
    3    HA2  GLY  34           HA3      GLY  34  -6.439  -2.807   1.893

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ARG  35           H        ARG  35  -5.181  -0.907   4.509
    2    HA   ARG  35           HA       ARG  35  -7.913   0.029   5.096
    3    HB2  ARG  35           HB2      ARG  35  -7.413  -0.246   7.483
    4    HB3  ARG  35           HB3      ARG  35  -7.288  -1.769   6.614
    5    HG2  ARG  35           HG2      ARG  35  -5.141  -2.022   7.147
    6    HG3  ARG  35           HG3      ARG  35  -4.756  -0.344   6.760
    7    HD2  ARG  35           HD2      ARG  35  -5.311   0.403   8.899
    8    HD3  ARG  35           HD3      ARG  35  -6.248  -1.045   9.262
    9    HE   ARG  35           HE       ARG  35  -4.319  -2.100   9.916
   10   HH11  ARG  35          HH11      ARG  35  -3.497   0.831   8.209
   11   HH12  ARG  35          HH12      ARG  35  -1.818   0.749   8.622
   12   HH21  ARG  35          HH21      ARG  35  -2.111  -2.209  10.460
   13   HH22  ARG  35          HH22      ARG  35  -1.030  -0.977   9.899

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  36           H        SER  36  -4.489   0.759   5.137
    2    HA   SER  36           HA       SER  36  -5.152   3.592   5.437
    3    HB2  SER  36           HB2      SER  36  -4.465   2.675   7.676
    4    HB3  SER  36           HB3      SER  36  -2.889   2.304   6.977
    5    HG   SER  36           HG       SER  36  -3.866   4.671   7.865

  No H/Q in entry =           5
  In of MODEL   16
    1    H    CYS  37           H        CYS  37  -3.657   5.019   4.485
    2    HA   CYS  37           HA       CYS  37  -2.305   3.964   2.211
    3    HB2  CYS  37           HB2      CYS  37  -3.217   6.495   3.069
    4    HB3  CYS  37           HB3      CYS  37  -1.485   6.658   2.806

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLU  38           H        GLU  38  -1.369   4.659   5.455
    2    HA   GLU  38           HA       GLU  38   1.425   4.977   4.981
    3    HB2  GLU  38           HB2      GLU  38   1.594   4.516   7.462
    4    HB3  GLU  38           HB3      GLU  38   0.576   5.876   7.007
    5    HG2  GLU  38           HG2      GLU  38  -1.275   4.928   7.827
    6    HG3  GLU  38           HG3      GLU  38  -0.844   3.328   7.226

  No H/Q in entry =           6
  In of MODEL   16
    1    H    CYS  39           H        CYS  39   1.984   3.232   3.624
    2    HA   CYS  39           HA       CYS  39   1.500   0.534   4.123
    3    HB2  CYS  39           HB2      CYS  39   2.575   1.777   2.067
    4    HB3  CYS  39           HB3      CYS  39   4.085   1.389   2.883

  No H/Q in entry =           4
  In of MODEL   16
    1    HA   PRO  40           HA       PRO  40   3.844   0.178   7.981
    2    HB2  PRO  40           HB2      PRO  40   3.308  -2.689   7.365
    3    HB3  PRO  40           HB3      PRO  40   3.074  -1.799   8.874
    4    HG2  PRO  40           HG2      PRO  40   0.994  -2.433   7.342
    5    HG3  PRO  40           HG3      PRO  40   1.071  -0.865   8.167
    6    HD2  PRO  40           HD2      PRO  40   1.531  -1.522   5.292
    7    HD3  PRO  40           HD3      PRO  40   0.780  -0.086   6.017

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  41           H        SER  41   5.735  -1.193   8.655
    2    HA   SER  41           HA       SER  41   7.510  -1.607   6.346
    3    HB2  SER  41           HB2      SER  41   8.170   0.148   8.007
    4    HB3  SER  41           HB3      SER  41   8.303  -1.120   9.225
    5    HG   SER  41           HG       SER  41   9.749  -1.063   6.784

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  42           H        TYR  42   5.642  -3.602   7.235
    2    HA   TYR  42           HA       TYR  42   7.418  -5.622   8.420
    3    HB2  TYR  42           HB2      TYR  42   4.404  -5.566   8.166
    4    HB3  TYR  42           HB3      TYR  42   5.326  -6.905   8.844
    5    HD1  TYR  42           HD1      TYR  42   6.924  -6.265  10.831
    6    HD2  TYR  42           HD2      TYR  42   3.585  -3.938   9.592
    7    HE1  TYR  42           HE1      TYR  42   6.854  -5.198  13.046
    8    HE2  TYR  42           HE2      TYR  42   3.506  -2.864  11.802
    9    HH   TYR  42           HH       TYR  42   6.026  -3.165  14.085

  No H/Q in entry =           9
  In of MODEL   16
    1    HA   PRO  43           HA       PRO  43   7.327  -6.857   3.989
    2    HB2  PRO  43           HB2      PRO  43   9.802  -7.968   4.001
    3    HB3  PRO  43           HB3      PRO  43   9.529  -6.237   3.769
    4    HG2  PRO  43           HG2      PRO  43  10.324  -7.713   6.250
    5    HG3  PRO  43           HG3      PRO  43  10.951  -6.182   5.609
    6    HD2  PRO  43           HD2      PRO  43   9.142  -6.287   7.620
    7    HD3  PRO  43           HD3      PRO  43   9.178  -4.964   6.437

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  44           H        GLY  44   7.934  -9.087   3.036
    2    HA3  GLY  44           HA2      GLY  44   7.842 -11.315   4.864
    3    HA2  GLY  44           HA3      GLY  44   6.333 -11.056   4.002

  No H/Q in entry =           3
  In of MODEL   17
    1    H1   ALA   1           H2       ALA   1 -18.300  12.268   3.780
    2    H2   ALA   1           H1       ALA   1 -18.387  11.475   5.300
    3    H3   ALA   1           H3       ALA   1 -17.906  13.118   5.219
    4    HA   ALA   1           HA       ALA   1 -15.983  11.927   5.546
    5    HB1  ALA   1           HB1      ALA   1 -15.471  10.094   3.740
    6    HB2  ALA   1           HB2      ALA   1 -17.229  10.029   3.617
    7    HB3  ALA   1           HB3      ALA   1 -16.440   9.713   5.163

  No H/Q in entry =           7
  In of MODEL   17
    1    H    MET   2           H        MET   2 -14.365  13.150   4.855
    2    HA   MET   2           HA       MET   2 -14.230  13.851   2.003
    3    HB2  MET   2           HB2      MET   2 -15.070  15.665   3.782
    4    HB3  MET   2           HB3      MET   2 -13.337  15.882   3.983
    5    HG2  MET   2           HG2      MET   2 -13.054  16.733   1.889
    6    HG3  MET   2           HG3      MET   2 -14.432  15.856   1.226
    7    HE3  MET   2           HE1      MET   2 -16.124  19.031   0.416
    8    HE2  MET   2           HE2      MET   2 -16.662  17.356   0.535
    9    HE1  MET   2           HE3      MET   2 -15.071  17.726  -0.131

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP   3           H        ASP   3 -12.660  12.121   1.935
    2    HA   ASP   3           HA       ASP   3  -9.995  13.081   2.235
    3    HB2  ASP   3           HB2      ASP   3 -10.799  12.175   4.577
    4    HB3  ASP   3           HB3      ASP   3 -10.467  10.606   3.849

  No H/Q in entry =           4
  In of MODEL   17
    1    H    CYS   4           H        CYS   4  -8.762  12.175   0.710
    2    HA   CYS   4           HA       CYS   4  -9.785   9.756  -0.613
    3    HB2  CYS   4           HB2      CYS   4  -8.353  12.180  -1.589
    4    HB3  CYS   4           HB3      CYS   4  -8.038  10.656  -2.412

  No H/Q in entry =           4
  In of MODEL   17
    1    H    THR   5           H        THR   5  -7.000  11.196   0.920
    2    HA   THR   5           HA       THR   5  -5.001  10.359   1.603
    3    HB   THR   5           HB       THR   5  -4.966   8.172   2.478
    4    HG1  THR   5           HG1      THR   5  -6.423   6.563   1.740
    5   HG23  THR   5          HG21      THR   5  -6.888   7.961   3.748
    6   HG22  THR   5          HG22      THR   5  -7.923   8.601   2.472
    7   HG21  THR   5          HG23      THR   5  -6.846   9.680   3.359

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR   6           H        THR   6  -3.400  10.625   0.195
    2    HA   THR   6           HA       THR   6  -3.346   9.009  -2.248
    3    HB   THR   6           HB       THR   6  -1.417  10.620  -2.814
    4    HG1  THR   6           HG1      THR   6  -1.291  11.358  -0.567
    5   HG21  THR   6          HG21      THR   6  -4.291  11.347  -2.649
    6   HG23  THR   6          HG22      THR   6  -3.255  11.125  -4.060
    7   HG22  THR   6          HG23      THR   6  -3.121  12.591  -3.089

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY   7           H        GLY   7  -1.454   7.882  -2.890
    2    HA3  GLY   7           HA2      GLY   7   0.974   7.621  -1.788
    3    HA2  GLY   7           HA3      GLY   7  -0.020   6.741  -0.636

  No H/Q in entry =           3
  In of MODEL   17
    1    HA   PRO   8           HA       PRO   8   1.309   3.901  -4.135
    2    HB2  PRO   8           HB2      PRO   8   2.548   2.045  -2.598
    3    HB3  PRO   8           HB3      PRO   8   3.381   3.468  -3.236
    4    HG2  PRO   8           HG2      PRO   8   2.238   3.007  -0.507
    5    HG3  PRO   8           HG3      PRO   8   3.787   3.742  -0.962
    6    HD2  PRO   8           HD2      PRO   8   1.620   5.213  -0.264
    7    HD3  PRO   8           HD3      PRO   8   2.823   5.780  -1.439

  No H/Q in entry =           7
  In of MODEL   17
    1    H    CYS   9           H        CYS   9  -0.135   3.400  -0.976
    2    HA   CYS   9           HA       CYS   9  -1.455   0.957  -1.882
    3    HB2  CYS   9           HB2      CYS   9  -0.885   2.200   0.746
    4    HB3  CYS   9           HB3      CYS   9  -2.394   1.303   0.626

  No H/Q in entry =           4
  In of MODEL   17
    1    H    CYS  10           H        CYS  10  -2.286   3.127  -3.305
    2    HA   CYS  10           HA       CYS  10  -5.067   3.039  -3.025
    3    HB2  CYS  10           HB2      CYS  10  -5.285   5.593  -2.498
    4    HB3  CYS  10           HB3      CYS  10  -5.116   4.440  -1.180

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ARG  11           H        ARG  11  -5.716   3.229  -5.052
    2    HA   ARG  11           HA       ARG  11  -4.141   4.091  -7.161
    3    HB2  ARG  11           HB2      ARG  11  -6.504   4.391  -8.313
    4    HB3  ARG  11           HB3      ARG  11  -5.865   2.800  -7.926
    5    HG2  ARG  11           HG2      ARG  11  -7.449   4.048  -5.792
    6    HG3  ARG  11           HG3      ARG  11  -8.340   3.669  -7.267
    7    HD2  ARG  11           HD2      ARG  11  -6.877   1.400  -6.914
    8    HD3  ARG  11           HD3      ARG  11  -7.181   1.885  -5.246
    9    HE   ARG  11           HE       ARG  11  -9.337   1.212  -5.519
   10   HH11  ARG  11          HH11      ARG  11  -8.007   1.888  -8.674
   11   HH12  ARG  11          HH12      ARG  11  -9.421   1.359  -9.521
   12   HH21  ARG  11          HH21      ARG  11 -11.198   0.516  -6.631
   13   HH22  ARG  11          HH22      ARG  11 -11.233   0.581  -8.362

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  12           H        GLN  12  -7.181   5.830  -6.858
    2    HA   GLN  12           HA       GLN  12  -5.653   8.347  -6.879
    3    HB2  GLN  12           HB2      GLN  12  -8.142   7.565  -8.380
    4    HB3  GLN  12           HB3      GLN  12  -7.698   9.248  -8.136
    5    HG2  GLN  12           HG2      GLN  12  -5.796   7.286  -9.363
    6    HG3  GLN  12           HG3      GLN  12  -7.013   8.127 -10.323
    7   HE21  GLN  12          HE21      GLN  12  -4.797   8.732 -11.287
    8   HE22  GLN  12          HE22      GLN  12  -4.125  10.218 -10.718

  No H/Q in entry =           8
  In of MODEL   17
    1    H    CYS  13           H        CYS  13  -8.172   6.519  -5.407
    2    HA   CYS  13           HA       CYS  13  -8.381   8.232  -3.196
    3    HB2  CYS  13           HB2      CYS  13  -9.585   9.646  -4.877
    4    HB3  CYS  13           HB3      CYS  13 -10.781   8.364  -5.031

  No H/Q in entry =           4
  In of MODEL   17
    1    H    LYS  14           H        LYS  14  -8.078   5.450  -3.726
    2    HA   LYS  14           HA       LYS  14 -10.171   4.445  -1.999
    3    HB2  LYS  14           HB2      LYS  14 -10.882   4.228  -4.495
    4    HB3  LYS  14           HB3      LYS  14  -9.706   2.922  -4.543
    5    HG2  LYS  14           HG2      LYS  14 -11.642   2.839  -2.322
    6    HG3  LYS  14           HG3      LYS  14 -12.292   2.572  -3.941
    7    HD2  LYS  14           HD2      LYS  14 -11.029   0.658  -4.272
    8    HD3  LYS  14           HD3      LYS  14  -9.834   1.116  -3.057
    9    HE2  LYS  14           HE2      LYS  14 -11.109   0.356  -1.317
   10    HE3  LYS  14           HE3      LYS  14 -12.629   0.646  -2.163
   11    HZ3  LYS  14           HZ1      LYS  14 -12.227  -1.707  -1.945
   12    HZ2  LYS  14           HZ2      LYS  14 -10.720  -1.565  -2.700
   13    HZ1  LYS  14           HZ3      LYS  14 -12.135  -1.273  -3.578

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  15           H        LEU  15  -9.460   2.833  -0.703
    2    HA   LEU  15           HA       LEU  15  -6.749   2.344  -0.385
    3    HB2  LEU  15           HB2      LEU  15  -9.090   0.630   0.450
    4    HB3  LEU  15           HB3      LEU  15  -7.448   0.417   1.026
    5    HG   LEU  15           HG       LEU  15  -9.001   2.967   1.428
    6   HD12  LEU  15          HD11      LEU  15  -9.052   1.967   3.854
    7   HD11  LEU  15          HD12      LEU  15  -8.982   0.432   2.988
    8   HD13  LEU  15          HD13      LEU  15 -10.303   1.559   2.679
    9   HD23  LEU  15          HD21      LEU  15  -7.298   3.114   3.338
   10   HD22  LEU  15          HD22      LEU  15  -6.726   3.416   1.697
   11   HD21  LEU  15          HD23      LEU  15  -6.415   1.860   2.467

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  16           H        LYS  16  -5.341   1.224  -1.550
    2    HA   LYS  16           HA       LYS  16  -5.875  -0.151  -3.865
    3    HB2  LYS  16           HB2      LYS  16  -3.594   0.166  -2.091
    4    HB3  LYS  16           HB3      LYS  16  -3.604  -1.417  -2.857
    5    HG2  LYS  16           HG2      LYS  16  -4.024  -0.069  -5.037
    6    HG3  LYS  16           HG3      LYS  16  -3.390   1.286  -4.102
    7    HD2  LYS  16           HD2      LYS  16  -1.365  -0.039  -3.614
    8    HD3  LYS  16           HD3      LYS  16  -1.997  -1.339  -4.625
    9    HE2  LYS  16           HE2      LYS  16  -1.987   0.142  -6.559
   10    HE3  LYS  16           HE3      LYS  16  -1.404   1.469  -5.554
   11    HZ3  LYS  16           HZ1      LYS  16   0.640   0.331  -5.194
   12    HZ2  LYS  16           HZ2      LYS  16   0.349   0.327  -6.860
   13    HZ1  LYS  16           HZ3      LYS  16   0.075  -1.073  -5.951

  No H/Q in entry =          13
  In of MODEL   17
    1    HA   PRO  17           HA       PRO  17  -7.372  -4.183  -2.934
    2    HB2  PRO  17           HB2      PRO  17  -5.795  -5.848  -4.411
    3    HB3  PRO  17           HB3      PRO  17  -7.058  -4.830  -5.110
    4    HG2  PRO  17           HG2      PRO  17  -4.105  -4.360  -4.973
    5    HG3  PRO  17           HG3      PRO  17  -5.222  -4.081  -6.322
    6    HD2  PRO  17           HD2      PRO  17  -4.358  -2.077  -4.739
    7    HD3  PRO  17           HD3      PRO  17  -5.989  -2.088  -5.441

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  18           H        ALA  18  -7.120  -5.035  -0.971
    2    HA   ALA  18           HA       ALA  18  -4.680  -5.270   0.401
    3    HB1  ALA  18           HB1      ALA  18  -7.218  -5.340   1.192
    4    HB3  ALA  18           HB2      ALA  18  -5.911  -6.028   2.157
    5    HB2  ALA  18           HB3      ALA  18  -6.910  -7.076   1.149

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  19           H        GLY  19  -3.080  -6.682   0.175
    2    HA3  GLY  19           HA2      GLY  19  -2.362  -9.002   0.208
    3    HA2  GLY  19           HA3      GLY  19  -3.719  -9.377  -0.844

  No H/Q in entry =           3
  In of MODEL   17
    1    H    THR  20           H        THR  20  -1.722  -6.559  -1.337
    2    HA   THR  20           HA       THR  20  -0.524  -7.870  -3.690
    3    HB   THR  20           HB       THR  20  -2.294  -6.190  -4.248
    4    HG1  THR  20           HG1      THR  20  -0.956  -6.339  -5.892
    5   HG23  THR  20          HG21      THR  20  -2.072  -4.527  -2.580
    6   HG22  THR  20          HG22      THR  20  -1.611  -3.789  -4.114
    7   HG21  THR  20          HG23      THR  20  -0.368  -4.278  -2.962

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR  21           H        THR  21   1.394  -6.451  -4.508
    2    HA   THR  21           HA       THR  21   3.186  -6.155  -2.224
    3    HB   THR  21           HB       THR  21   4.504  -5.734  -4.737
    4    HG1  THR  21           HG1      THR  21   3.225  -6.927  -5.920
    5   HG23  THR  21          HG21      THR  21   5.880  -6.654  -3.176
    6   HG22  THR  21          HG22      THR  21   5.412  -8.100  -4.070
    7   HG21  THR  21          HG23      THR  21   4.629  -7.719  -2.536

  No H/Q in entry =           7
  In of MODEL   17
    1    H    CYS  22           H        CYS  22   4.283  -4.294  -1.725
    2    HA   CYS  22           HA       CYS  22   3.193  -1.845  -2.894
    3    HB2  CYS  22           HB2      CYS  22   3.116  -2.047  -0.455
    4    HB3  CYS  22           HB3      CYS  22   4.861  -2.270  -0.405

  No H/Q in entry =           4
  In of MODEL   17
    1    H    TRP  23           H        TRP  23   6.408  -2.679  -1.603
    2    HA   TRP  23           HA       TRP  23   7.591  -1.521  -4.038
    3    HB2  TRP  23           HB2      TRP  23   7.802   0.048  -2.143
    4    HB3  TRP  23           HB3      TRP  23   8.626  -1.199  -1.213
    5    HD1  TRP  23           HD1      TRP  23   9.261   0.002  -4.855
    6    HE1  TRP  23           HE1      TRP  23  11.750   0.626  -5.054
    7    HE3  TRP  23           HE3      TRP  23  10.693  -0.818  -0.016
    8    HZ2  TRP  23           HZ2      TRP  23  14.020   0.754  -3.381
    9    HZ3  TRP  23           HZ3      TRP  23  13.042  -0.421   0.603
   10    HH2  TRP  23           HH2      TRP  23  14.670   0.348  -1.047

  No H/Q in entry =          10
  In of MODEL   17
    1    H    ARG  24           H        ARG  24   7.937  -3.554  -4.945
    2    HA   ARG  24           HA       ARG  24   9.351  -5.603  -3.504
    3    HB2  ARG  24           HB2      ARG  24   8.266  -5.302  -6.273
    4    HB3  ARG  24           HB3      ARG  24   9.464  -6.552  -5.963
    5    HG2  ARG  24           HG2      ARG  24   7.772  -7.025  -3.931
    6    HG3  ARG  24           HG3      ARG  24   6.647  -6.373  -5.124
    7    HD2  ARG  24           HD2      ARG  24   6.843  -8.164  -6.478
    8    HD3  ARG  24           HD3      ARG  24   8.567  -8.347  -6.157
    9    HE   ARG  24           HE       ARG  24   7.139  -9.085  -3.860
   10   HH11  ARG  24          HH11      ARG  24   7.700 -10.196  -7.121
   11   HH12  ARG  24          HH12      ARG  24   7.465 -11.865  -6.725
   12   HH21  ARG  24          HH21      ARG  24   6.830 -11.280  -3.338
   13   HH22  ARG  24          HH22      ARG  24   6.971 -12.481  -4.579

  No H/Q in entry =          13
  In of MODEL   17
    1    H    THR  25           H        THR  25  11.466  -5.615  -3.185
    2    HA   THR  25           HA       THR  25  13.193  -4.208  -5.108
    3    HB   THR  25           HB       THR  25  14.817  -4.434  -3.010
    4    HG1  THR  25           HG1      THR  25  12.254  -4.269  -1.815
    5   HG23  THR  25          HG21      THR  25  14.243  -2.296  -3.954
    6   HG22  THR  25          HG22      THR  25  14.078  -2.238  -2.199
    7   HG21  THR  25          HG23      THR  25  12.643  -2.366  -3.215

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  26           H        SER  26  13.877  -6.647  -2.638
    2    HA   SER  26           HA       SER  26  14.286  -8.815  -4.360
    3    HB2  SER  26           HB2      SER  26  16.629  -7.010  -3.957
    4    HB3  SER  26           HB3      SER  26  16.913  -8.750  -3.990
    5    HG   SER  26           HG       SER  26  16.879  -7.375  -6.059

  No H/Q in entry =           5
  In of MODEL   17
    1    H    VAL  27           H        VAL  27  15.357  -7.182  -1.431
    2    HA   VAL  27           HA       VAL  27  15.404  -9.785  -0.053
    3    HB   VAL  27           HB       VAL  27  17.558  -8.597  -0.005
    4   HG11  VAL  27          HG11      VAL  27  16.614  -6.306  -0.116
    5   HG13  VAL  27          HG12      VAL  27  17.832  -6.503   1.143
    6   HG12  VAL  27          HG13      VAL  27  16.121  -6.465   1.570
    7   HG23  VAL  27          HG21      VAL  27  17.418  -8.307   2.701
    8   HG22  VAL  27          HG22      VAL  27  17.627  -9.843   1.860
    9   HG21  VAL  27          HG23      VAL  27  16.021  -9.333   2.379

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  28           H        SER  28  14.141  -6.520  -0.006
    2    HA   SER  28           HA       SER  28  12.854  -6.815   2.550
    3    HB2  SER  28           HB2      SER  28  13.507  -4.597   1.965
    4    HB3  SER  28           HB3      SER  28  12.701  -4.702   0.400
    5    HG   SER  28           HG       SER  28  11.515  -3.516   2.016

  No H/Q in entry =           5
  In of MODEL   17
    1    H    SER  29           H        SER  29  11.294  -5.843  -0.471
    2    HA   SER  29           HA       SER  29   9.313  -6.425  -1.426
    3    HB2  SER  29           HB2      SER  29  10.076  -9.055  -0.156
    4    HB3  SER  29           HB3      SER  29   8.629  -8.869  -1.147
    5    HG   SER  29           HG       SER  29  11.291  -8.317  -1.970

  No H/Q in entry =           5
  In of MODEL   17
    1    H    HIS  30           H        HIS  30   7.802  -5.172  -0.471
    2    HA   HIS  30           HA       HIS  30   6.664  -6.063   2.086
    3    HB2  HIS  30           HB2      HIS  30   6.539  -3.393   0.673
    4    HB3  HIS  30           HB3      HIS  30   5.648  -3.766   2.145
    5    HD1  HIS  30           HD1      HIS  30   7.225  -1.598   2.873
    6    HD2  HIS  30           HD2      HIS  30   9.060  -5.305   2.482
    7    HE1  HIS  30           HE1      HIS  30   9.384  -1.418   4.150
    8    HE2  HIS  30           HE2      HIS  30  10.517  -3.645   3.827

  No H/Q in entry =           8
  In of MODEL   17
    1    H    TYR  31           H        TYR  31   4.210  -5.156   2.162
    2    HA   TYR  31           HA       TYR  31   2.799  -5.840  -0.294
    3    HB2  TYR  31           HB2      TYR  31   2.609  -7.403   2.270
    4    HB3  TYR  31           HB3      TYR  31   1.267  -7.356   1.131
    5    HD1  TYR  31           HD1      TYR  31   4.828  -8.316   1.499
    6    HD2  TYR  31           HD2      TYR  31   1.274  -8.703  -0.808
    7    HE1  TYR  31           HE1      TYR  31   5.872 -10.129   0.206
    8    HE2  TYR  31           HE2      TYR  31   2.308 -10.517  -2.107
    9    HH   TYR  31           HH       TYR  31   4.126 -12.188  -1.812

  No H/Q in entry =           9
  In of MODEL   17
    1    H    CYS  32           H        CYS  32   0.469  -5.364  -0.155
    2    HA   CYS  32           HA       CYS  32  -0.008  -3.116   1.680
    3    HB2  CYS  32           HB2      CYS  32  -0.049  -2.733  -0.834
    4    HB3  CYS  32           HB3      CYS  32  -1.517  -3.704  -0.866

  No H/Q in entry =           4
  In of MODEL   17
    1    H    THR  33           H        THR  33  -1.520  -3.296   3.198
    2    HA   THR  33           HA       THR  33  -3.119  -5.714   3.320
    3    HB   THR  33           HB       THR  33  -2.097  -5.097   5.375
    4    HG1  THR  33           HG1      THR  33  -4.779  -4.212   5.580
    5   HG23  THR  33          HG21      THR  33  -1.537  -2.972   5.690
    6   HG22  THR  33          HG22      THR  33  -3.183  -2.753   6.283
    7   HG21  THR  33          HG23      THR  33  -2.795  -2.386   4.602

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY  34           H        GLY  34  -3.552  -2.988   1.662
    2    HA3  GLY  34           HA2      GLY  34  -5.365  -1.833   0.858
    3    HA2  GLY  34           HA3      GLY  34  -6.252  -3.320   1.157

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ARG  35           H        ARG  35  -4.709  -1.320   3.615
    2    HA   ARG  35           HA       ARG  35  -7.387  -0.732   4.693
    3    HB2  ARG  35           HB2      ARG  35  -5.738  -2.255   5.994
    4    HB3  ARG  35           HB3      ARG  35  -4.891  -0.759   6.362
    5    HG2  ARG  35           HG2      ARG  35  -7.795  -0.755   6.867
    6    HG3  ARG  35           HG3      ARG  35  -6.821  -1.798   7.905
    7    HD2  ARG  35           HD2      ARG  35  -5.873   0.977   7.428
    8    HD3  ARG  35           HD3      ARG  35  -7.263   0.750   8.488
    9    HE   ARG  35           HE       ARG  35  -5.052  -0.961   9.131
   10   HH11  ARG  35          HH11      ARG  35  -6.425   2.213   9.595
   11   HH12  ARG  35          HH12      ARG  35  -5.605   2.486  11.095
   12   HH21  ARG  35          HH21      ARG  35  -3.973  -0.605  11.105
   13   HH22  ARG  35          HH22      ARG  35  -4.213   0.886  11.953

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  36           H        SER  36  -4.155   0.531   4.118
    2    HA   SER  36           HA       SER  36  -5.227   3.218   3.976
    3    HB2  SER  36           HB2      SER  36  -4.319   2.505   6.414
    4    HB3  SER  36           HB3      SER  36  -2.808   3.044   5.683
    5    HG   SER  36           HG       SER  36  -4.272   4.643   6.807

  No H/Q in entry =           5
  In of MODEL   17
    1    H    CYS  37           H        CYS  37  -3.505   4.794   3.279
    2    HA   CYS  37           HA       CYS  37  -2.111   3.710   1.044
    3    HB2  CYS  37           HB2      CYS  37  -2.047   6.468   2.281
    4    HB3  CYS  37           HB3      CYS  37  -1.266   6.044   0.762

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLU  38           H        GLU  38  -1.227   4.580   4.302
    2    HA   GLU  38           HA       GLU  38   1.563   4.736   3.971
    3    HB2  GLU  38           HB2      GLU  38  -0.267   4.258   6.282
    4    HB3  GLU  38           HB3      GLU  38   1.451   3.952   6.494
    5    HG2  GLU  38           HG2      GLU  38   1.475   6.405   5.319
    6    HG3  GLU  38           HG3      GLU  38  -0.002   6.479   6.279

  No H/Q in entry =           6
  In of MODEL   17
    1    H    CYS  39           H        CYS  39   2.611   3.141   2.930
    2    HA   CYS  39           HA       CYS  39   1.927   0.394   3.109
    3    HB2  CYS  39           HB2      CYS  39   4.112   1.984   1.877
    4    HB3  CYS  39           HB3      CYS  39   4.442   0.281   2.175

  No H/Q in entry =           4
  In of MODEL   17
    1    HA   PRO  40           HA       PRO  40   4.026  -0.898   6.762
    2    HB2  PRO  40           HB2      PRO  40   4.862  -3.388   6.080
    3    HB3  PRO  40           HB3      PRO  40   3.168  -2.999   6.399
    4    HG2  PRO  40           HG2      PRO  40   4.589  -3.266   3.777
    5    HG3  PRO  40           HG3      PRO  40   2.989  -3.868   4.249
    6    HD2  PRO  40           HD2      PRO  40   3.323  -1.615   2.787
    7    HD3  PRO  40           HD3      PRO  40   1.986  -1.816   3.938

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  41           H        SER  41   6.099  -1.437   7.671
    2    HA   SER  41           HA       SER  41   8.372  -1.073   5.840
    3    HB2  SER  41           HB2      SER  41   7.746   0.436   8.360
    4    HB3  SER  41           HB3      SER  41   9.420   0.214   7.854
    5    HG   SER  41           HG       SER  41   8.480   2.156   7.042

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  42           H        TYR  42   7.274  -3.491   6.973
    2    HA   TYR  42           HA       TYR  42   9.658  -4.396   8.419
    3    HB2  TYR  42           HB2      TYR  42   8.208  -5.789   9.902
    4    HB3  TYR  42           HB3      TYR  42   8.025  -4.057  10.161
    5    HD1  TYR  42           HD1      TYR  42   6.013  -2.892   9.180
    6    HD2  TYR  42           HD2      TYR  42   6.363  -7.130   9.303
    7    HE1  TYR  42           HE1      TYR  42   3.584  -3.096   8.851
    8    HE2  TYR  42           HE2      TYR  42   3.936  -7.347   8.974
    9    HH   TYR  42           HH       TYR  42   2.075  -6.076   8.105

  No H/Q in entry =           9
  In of MODEL   17
    1    HA   PRO  43           HA       PRO  43   9.545  -7.800   5.623
    2    HB2  PRO  43           HB2      PRO  43  10.603  -9.797   7.125
    3    HB3  PRO  43           HB3      PRO  43  11.568  -8.456   6.496
    4    HG2  PRO  43           HG2      PRO  43  10.408  -8.837   9.230
    5    HG3  PRO  43           HG3      PRO  43  12.018  -8.253   8.769
    6    HD2  PRO  43           HD2      PRO  43  10.018  -6.583   9.509
    7    HD3  PRO  43           HD3      PRO  43  11.256  -6.124   8.321

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY  44           H        GLY  44   7.523  -8.464   5.111
    2    HA3  GLY  44           HA2      GLY  44   5.716  -9.599   7.013
    3    HA2  GLY  44           HA3      GLY  44   5.482  -9.523   5.274

  No H/Q in entry =           3
  In of MODEL   18
    1    H1   ALA   1           H2       ALA   1 -15.026  13.692  -4.583
    2    H2   ALA   1           H1       ALA   1 -14.437  12.080  -4.541
    3    H3   ALA   1           H3       ALA   1 -16.109  12.386  -4.320
    4    HA   ALA   1           HA       ALA   1 -15.829  13.263  -2.259
    5    HB2  ALA   1           HB1      ALA   1 -15.181  10.739  -2.680
    6    HB3  ALA   1           HB2      ALA   1 -15.043  11.472  -1.082
    7    HB1  ALA   1           HB3      ALA   1 -13.611  11.291  -2.095

  No H/Q in entry =           7
  In of MODEL   18
    1    H    MET   2           H        MET   2 -14.494  14.144  -0.563
    2    HA   MET   2           HA       MET   2 -12.361  15.795  -1.644
    3    HB2  MET   2           HB2      MET   2 -14.001  15.811   0.855
    4    HB3  MET   2           HB3      MET   2 -12.457  16.653   0.848
    5    HG2  MET   2           HG2      MET   2 -13.173  18.253  -0.603
    6    HG3  MET   2           HG3      MET   2 -14.342  17.185  -1.380
    7    HE1  MET   2           HE1      MET   2 -16.153  18.413  -1.617
    8    HE3  MET   2           HE2      MET   2 -17.196  19.154  -0.403
    9    HE2  MET   2           HE3      MET   2 -17.159  17.400  -0.582

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP   3           H        ASP   3 -12.796  13.572   1.107
    2    HA   ASP   3           HA       ASP   3  -9.991  13.528   1.701
    3    HB2  ASP   3           HB2      ASP   3 -10.610  11.762   3.329
    4    HB3  ASP   3           HB3      ASP   3 -11.601  13.208   3.493

  No H/Q in entry =           4
  In of MODEL   18
    1    H    CYS   4           H        CYS   4  -8.512  12.411   0.631
    2    HA   CYS   4           HA       CYS   4  -9.116   9.733  -0.329
    3    HB2  CYS   4           HB2      CYS   4  -8.396  12.040  -2.111
    4    HB3  CYS   4           HB3      CYS   4  -7.932  10.399  -2.548

  No H/Q in entry =           4
  In of MODEL   18
    1    H    THR   5           H        THR   5  -7.575   8.562   0.592
    2    HA   THR   5           HA       THR   5  -5.114   9.566   1.509
    3    HB   THR   5           HB       THR   5  -5.005   6.721   0.971
    4    HG1  THR   5           HG1      THR   5  -6.943   6.133   1.462
    5   HG22  THR   5          HG21      THR   5  -5.363   8.160   3.586
    6   HG21  THR   5          HG22      THR   5  -3.811   7.882   2.796
    7   HG23  THR   5          HG23      THR   5  -4.780   6.513   3.342

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR   6           H        THR   6  -3.062   9.525   0.676
    2    HA   THR   6           HA       THR   6  -2.767   8.581  -2.097
    3    HB   THR   6           HB       THR   6  -1.207  10.544  -2.433
    4    HG1  THR   6           HG1      THR   6  -0.950  11.931  -0.885
    5   HG21  THR   6          HG21      THR   6  -3.867  10.429  -2.872
    6   HG23  THR   6          HG22      THR   6  -2.837  11.787  -3.325
    7   HG22  THR   6          HG23      THR   6  -3.761  11.843  -1.824

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY   7           H        GLY   7  -1.174   7.164  -2.339
    2    HA3  GLY   7           HA2      GLY   7   1.420   7.368  -1.435
    3    HA2  GLY   7           HA3      GLY   7   0.564   6.499  -0.172

  No H/Q in entry =           3
  In of MODEL   18
    1    HA   PRO   8           HA       PRO   8   1.933   3.436  -3.393
    2    HB2  PRO   8           HB2      PRO   8   3.455   1.873  -1.832
    3    HB3  PRO   8           HB3      PRO   8   4.079   3.369  -2.537
    4    HG2  PRO   8           HG2      PRO   8   3.082   2.854   0.237
    5    HG3  PRO   8           HG3      PRO   8   4.500   3.779  -0.288
    6    HD2  PRO   8           HD2      PRO   8   2.107   4.918   0.415
    7    HD3  PRO   8           HD3      PRO   8   3.266   5.663  -0.702

  No H/Q in entry =           7
  In of MODEL   18
    1    H    CYS   9           H        CYS   9   0.832   2.979  -0.065
    2    HA   CYS   9           HA       CYS   9  -0.124   0.317  -0.499
    3    HB2  CYS   9           HB2      CYS   9   0.438   1.802   1.726
    4    HB3  CYS   9           HB3      CYS   9  -1.322   1.835   1.720

  No H/Q in entry =           4
  In of MODEL   18
    1    H    CYS  10           H        CYS  10  -1.442   3.506  -0.893
    2    HA   CYS  10           HA       CYS  10  -4.080   2.334  -1.480
    3    HB2  CYS  10           HB2      CYS  10  -5.061   4.494  -1.005
    4    HB3  CYS  10           HB3      CYS  10  -4.049   4.014   0.353

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ARG  11           H        ARG  11  -4.928   2.550  -3.477
    2    HA   ARG  11           HA       ARG  11  -3.292   3.190  -5.648
    3    HB2  ARG  11           HB2      ARG  11  -6.186   2.612  -5.288
    4    HB3  ARG  11           HB3      ARG  11  -5.690   3.348  -6.806
    5    HG2  ARG  11           HG2      ARG  11  -3.874   1.397  -6.677
    6    HG3  ARG  11           HG3      ARG  11  -5.170   0.640  -5.749
    7    HD2  ARG  11           HD2      ARG  11  -5.331   1.721  -8.559
    8    HD3  ARG  11           HD3      ARG  11  -5.403   0.030  -8.064
    9    HE   ARG  11           HE       ARG  11  -7.467   1.336  -6.756
   10   HH11  ARG  11          HH11      ARG  11  -6.531   0.651 -10.048
   11   HH12  ARG  11          HH12      ARG  11  -8.160   0.622 -10.637
   12   HH21  ARG  11          HH21      ARG  11  -9.609   1.299  -7.529
   13   HH22  ARG  11          HH22      ARG  11  -9.907   0.991  -9.207

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  12           H        GLN  12  -6.363   4.855  -5.660
    2    HA   GLN  12           HA       GLN  12  -4.913   7.417  -5.779
    3    HB2  GLN  12           HB2      GLN  12  -5.971   6.476  -7.941
    4    HB3  GLN  12           HB3      GLN  12  -7.508   6.916  -7.210
    5    HG2  GLN  12           HG2      GLN  12  -6.978   9.203  -7.213
    6    HG3  GLN  12           HG3      GLN  12  -5.271   8.889  -7.524
    7   HE21  GLN  12          HE21      GLN  12  -4.949   9.891  -9.409
    8   HE22  GLN  12          HE22      GLN  12  -5.816   9.564 -10.868

  No H/Q in entry =           8
  In of MODEL   18
    1    H    CYS  13           H        CYS  13  -7.515   5.624  -4.402
    2    HA   CYS  13           HA       CYS  13  -7.958   7.479  -2.346
    3    HB2  CYS  13           HB2      CYS  13  -9.035   8.737  -4.230
    4    HB3  CYS  13           HB3      CYS  13 -10.190   7.419  -4.385

  No H/Q in entry =           4
  In of MODEL   18
    1    H    LYS  14           H        LYS  14  -7.567   4.662  -2.694
    2    HA   LYS  14           HA       LYS  14  -9.629   3.713  -0.955
    3    HB2  LYS  14           HB2      LYS  14 -10.452   3.540  -3.459
    4    HB3  LYS  14           HB3      LYS  14  -9.428   2.110  -3.469
    5    HG2  LYS  14           HG2      LYS  14 -10.792   0.950  -2.075
    6    HG3  LYS  14           HG3      LYS  14 -11.341   2.397  -1.226
    7    HD2  LYS  14           HD2      LYS  14 -12.436   2.927  -3.571
    8    HD3  LYS  14           HD3      LYS  14 -12.339   1.174  -3.750
    9    HE2  LYS  14           HE2      LYS  14 -14.484   1.721  -2.835
   10    HE3  LYS  14           HE3      LYS  14 -13.523   0.948  -1.575
   11    HZ1  LYS  14           HZ1      LYS  14 -13.395   3.854  -1.710
   12    HZ3  LYS  14           HZ2      LYS  14 -13.432   2.833  -0.362
   13    HZ2  LYS  14           HZ3      LYS  14 -14.863   3.193  -1.189

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  15           H        LEU  15  -8.707   2.340   0.418
    2    HA   LEU  15           HA       LEU  15  -6.054   1.624   0.395
    3    HB2  LEU  15           HB2      LEU  15  -8.376   0.989   1.952
    4    HB3  LEU  15           HB3      LEU  15  -7.427  -0.467   1.717
    5    HG   LEU  15           HG       LEU  15  -6.749   0.566   3.771
    6   HD12  LEU  15          HD11      LEU  15  -4.459   1.453   2.168
    7   HD11  LEU  15          HD12      LEU  15  -5.031  -0.175   1.806
    8   HD13  LEU  15          HD13      LEU  15  -4.552   0.246   3.450
    9   HD21  LEU  15          HD21      LEU  15  -7.448   2.924   2.663
   10   HD23  LEU  15          HD22      LEU  15  -5.691   3.022   2.542
   11   HD22  LEU  15          HD23      LEU  15  -6.454   2.773   4.112

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  16           H        LYS  16  -4.945   0.449  -1.011
    2    HA   LYS  16           HA       LYS  16  -5.933  -1.128  -3.026
    3    HB2  LYS  16           HB2      LYS  16  -3.293  -1.320  -1.574
    4    HB3  LYS  16           HB3      LYS  16  -3.656  -2.221  -3.039
    5    HG2  LYS  16           HG2      LYS  16  -3.951  -0.162  -4.274
    6    HG3  LYS  16           HG3      LYS  16  -3.691   0.780  -2.805
    7    HD2  LYS  16           HD2      LYS  16  -1.421   0.083  -2.661
    8    HD3  LYS  16           HD3      LYS  16  -1.650  -1.134  -3.919
    9    HE2  LYS  16           HE2      LYS  16  -2.385   1.051  -5.282
   10    HE3  LYS  16           HE3      LYS  16  -1.260   1.790  -4.144
   11    HZ2  LYS  16           HZ1      LYS  16  -0.744  -0.060  -6.330
   12    HZ1  LYS  16           HZ2      LYS  16   0.173  -0.291  -4.928
   13    HZ3  LYS  16           HZ3      LYS  16   0.213   1.199  -5.727

  No H/Q in entry =          13
  In of MODEL   18
    1    HA   PRO  17           HA       PRO  17  -7.433  -4.987  -1.548
    2    HB2  PRO  17           HB2      PRO  17  -5.422  -6.316  -3.301
    3    HB3  PRO  17           HB3      PRO  17  -7.170  -6.561  -3.206
    4    HG2  PRO  17           HG2      PRO  17  -6.094  -5.195  -5.224
    5    HG3  PRO  17           HG3      PRO  17  -7.635  -4.696  -4.501
    6    HD2  PRO  17           HD2      PRO  17  -4.918  -3.507  -4.188
    7    HD3  PRO  17           HD3      PRO  17  -6.504  -2.710  -4.223

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  18           H        ALA  18  -7.020  -6.153   0.228
    2    HA   ALA  18           HA       ALA  18  -4.644  -5.935   1.671
    3    HB3  ALA  18           HB1      ALA  18  -6.675  -8.147   1.932
    4    HB1  ALA  18           HB2      ALA  18  -6.866  -6.533   2.615
    5    HB2  ALA  18           HB3      ALA  18  -5.555  -7.575   3.168

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  19           H        GLY  19  -2.774  -7.042   1.704
    2    HA3  GLY  19           HA2      GLY  19  -1.301  -8.816   1.367
    3    HA2  GLY  19           HA3      GLY  19  -2.586  -9.696   0.552

  No H/Q in entry =           3
  In of MODEL   18
    1    H    THR  20           H        THR  20  -1.963  -6.453  -0.450
    2    HA   THR  20           HA       THR  20  -0.721  -7.489  -2.908
    3    HB   THR  20           HB       THR  20  -2.333  -4.963  -2.491
    4    HG1  THR  20           HG1      THR  20  -3.622  -6.815  -2.486
    5   HG21  THR  20          HG21      THR  20  -0.521  -5.018  -4.343
    6   HG23  THR  20          HG22      THR  20  -2.148  -4.454  -4.723
    7   HG22  THR  20          HG23      THR  20  -1.655  -6.089  -5.165

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR  21           H        THR  21   1.370  -7.078  -3.104
    2    HA   THR  21           HA       THR  21   2.849  -5.439  -1.397
    3    HB   THR  21           HB       THR  21   4.158  -5.688  -3.955
    4    HG1  THR  21           HG1      THR  21   3.084  -8.098  -2.923
    5   HG23  THR  21          HG21      THR  21   5.568  -5.699  -2.128
    6   HG22  THR  21          HG22      THR  21   5.511  -7.399  -2.594
    7   HG21  THR  21          HG23      THR  21   4.556  -6.827  -1.225

  No H/Q in entry =           7
  In of MODEL   18
    1    H    CYS  22           H        CYS  22   3.198  -3.321  -1.316
    2    HA   CYS  22           HA       CYS  22   2.049  -1.630  -3.384
    3    HB2  CYS  22           HB2      CYS  22   2.389   0.200  -1.822
    4    HB3  CYS  22           HB3      CYS  22   1.613  -1.146  -0.995

  No H/Q in entry =           4
  In of MODEL   18
    1    H    TRP  23           H        TRP  23   5.191  -2.305  -1.917
    2    HA   TRP  23           HA       TRP  23   6.462  -1.033  -4.239
    3    HB2  TRP  23           HB2      TRP  23   6.591   0.531  -2.335
    4    HB3  TRP  23           HB3      TRP  23   7.381  -0.715  -1.373
    5    HD1  TRP  23           HD1      TRP  23   8.056   1.061  -4.770
    6    HE1  TRP  23           HE1      TRP  23  10.590   1.477  -4.946
    7    HE3  TRP  23           HE3      TRP  23   9.542  -1.110  -0.386
    8    HZ2  TRP  23           HZ2      TRP  23  12.911   0.953  -3.428
    9    HZ3  TRP  23           HZ3      TRP  23  11.938  -1.111   0.177
   10    HH2  TRP  23           HH2      TRP  23  13.586  -0.100  -1.314

  No H/Q in entry =          10
  In of MODEL   18
    1    H    ARG  24           H        ARG  24   8.233  -2.074  -5.043
    2    HA   ARG  24           HA       ARG  24   9.462  -4.232  -3.535
    3    HB2  ARG  24           HB2      ARG  24   9.150  -5.835  -5.435
    4    HB3  ARG  24           HB3      ARG  24   7.673  -5.441  -4.567
    5    HG2  ARG  24           HG2      ARG  24   6.748  -4.384  -6.338
    6    HG3  ARG  24           HG3      ARG  24   8.298  -3.787  -6.933
    7    HD2  ARG  24           HD2      ARG  24   7.157  -5.523  -8.368
    8    HD3  ARG  24           HD3      ARG  24   8.827  -5.867  -7.922
    9    HE   ARG  24           HE       ARG  24   6.893  -7.020  -6.136
   10   HH11  ARG  24          HH11      ARG  24   8.671  -7.471  -9.105
   11   HH12  ARG  24          HH12      ARG  24   8.553  -9.198  -9.060
   12   HH21  ARG  24          HH21      ARG  24   6.736  -9.291  -6.075
   13   HH22  ARG  24          HH22      ARG  24   7.454 -10.232  -7.340

  No H/Q in entry =          13
  In of MODEL   18
    1    H    THR  25           H        THR  25  11.515  -4.797  -4.267
    2    HA   THR  25           HA       THR  25  12.577  -3.740  -6.716
    3    HB   THR  25           HB       THR  25  13.938  -2.720  -4.247
    4    HG1  THR  25           HG1      THR  25  11.849  -1.394  -5.631
    5   HG23  THR  25          HG21      THR  25  14.773  -1.001  -5.675
    6   HG22  THR  25          HG22      THR  25  13.741  -1.535  -7.002
    7   HG21  THR  25          HG23      THR  25  15.065  -2.559  -6.447

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  26           H        SER  26  12.326  -6.327  -5.621
    2    HA   SER  26           HA       SER  26  13.509  -8.250  -5.355
    3    HB2  SER  26           HB2      SER  26  15.562  -6.453  -6.614
    4    HB3  SER  26           HB3      SER  26  15.999  -8.082  -6.097
    5    HG   SER  26           HG       SER  26  14.774  -8.920  -7.635

  No H/Q in entry =           5
  In of MODEL   18
    1    H    VAL  27           H        VAL  27  13.288  -6.338  -3.151
    2    HA   VAL  27           HA       VAL  27  15.615  -7.224  -1.580
    3    HB   VAL  27           HB       VAL  27  15.760  -4.808  -1.996
    4   HG11  VAL  27          HG11      VAL  27  13.236  -4.540  -2.156
    5   HG13  VAL  27          HG12      VAL  27  14.121  -3.263  -1.322
    6   HG12  VAL  27          HG13      VAL  27  13.240  -4.476  -0.393
    7   HG21  VAL  27          HG21      VAL  27  16.353  -5.995   0.249
    8   HG23  VAL  27          HG22      VAL  27  14.996  -5.063   0.881
    9   HG22  VAL  27          HG23      VAL  27  16.372  -4.234   0.153

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  28           H        SER  28  12.215  -6.273  -1.503
    2    HA   SER  28           HA       SER  28  11.586  -8.347   0.365
    3    HB2  SER  28           HB2      SER  28  11.895  -5.540   1.302
    4    HB3  SER  28           HB3      SER  28  10.511  -6.446   1.915
    5    HG   SER  28           HG       SER  28  13.133  -6.662   2.562

  No H/Q in entry =           5
  In of MODEL   18
    1    H    SER  29           H        SER  29   9.170  -7.763   1.235
    2    HA   SER  29           HA       SER  29   7.640  -6.727  -1.050
    3    HB2  SER  29           HB2      SER  29   6.801  -9.209   0.446
    4    HB3  SER  29           HB3      SER  29   6.172  -8.591  -1.080
    5    HG   SER  29           HG       SER  29   8.410  -8.963  -1.867

  No H/Q in entry =           5
  In of MODEL   18
    1    H    HIS  30           H        HIS  30   6.373  -5.136  -0.387
    2    HA   HIS  30           HA       HIS  30   5.471  -5.113   2.410
    3    HB2  HIS  30           HB2      HIS  30   5.614  -2.839   0.419
    4    HB3  HIS  30           HB3      HIS  30   5.121  -2.700   2.104
    5    HD1  HIS  30           HD1      HIS  30   7.303  -0.915   1.650
    6    HD2  HIS  30           HD2      HIS  30   8.046  -4.960   2.247
    7    HE1  HIS  30           HE1      HIS  30   9.708  -1.058   2.370
    8    HE2  HIS  30           HE2      HIS  30  10.159  -3.522   2.642

  No H/Q in entry =           8
  In of MODEL   18
    1    H    TYR  31           H        TYR  31   3.716  -6.544   2.067
    2    HA   TYR  31           HA       TYR  31   1.690  -5.994   0.128
    3    HB2  TYR  31           HB2      TYR  31   1.612  -7.770   2.577
    4    HB3  TYR  31           HB3      TYR  31   0.416  -7.762   1.284
    5    HD1  TYR  31           HD1      TYR  31   3.617  -9.007   2.378
    6    HD2  TYR  31           HD2      TYR  31   1.112  -8.485  -1.022
    7    HE1  TYR  31           HE1      TYR  31   4.942 -10.677   1.152
    8    HE2  TYR  31           HE2      TYR  31   2.430 -10.154  -2.256
    9    HH   TYR  31           HH       TYR  31   4.629 -11.158  -2.221

  No H/Q in entry =           9
  In of MODEL   18
    1    H    CYS  32           H        CYS  32  -0.152  -4.844   0.310
    2    HA   CYS  32           HA       CYS  32  -0.419  -3.055   2.544
    3    HB2  CYS  32           HB2      CYS  32  -0.957  -2.667  -0.001
    4    HB3  CYS  32           HB3      CYS  32  -2.524  -3.340   0.435

  No H/Q in entry =           4
  In of MODEL   18
    1    H    THR  33           H        THR  33  -1.965  -3.044   4.121
    2    HA   THR  33           HA       THR  33  -3.388  -5.555   4.522
    3    HB   THR  33           HB       THR  33  -3.610  -4.935   6.789
    4    HG1  THR  33           HG1      THR  33  -2.847  -2.296   6.095
    5   HG23  THR  33          HG21      THR  33  -1.477  -5.054   7.365
    6   HG22  THR  33          HG22      THR  33  -1.127  -3.469   6.675
    7   HG21  THR  33          HG23      THR  33  -1.094  -4.904   5.650

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY  34           H        GLY  34  -4.130  -3.027   2.751
    2    HA3  GLY  34           HA2      GLY  34  -6.058  -1.950   2.117
    3    HA2  GLY  34           HA3      GLY  34  -6.849  -3.440   2.607

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ARG  35           H        ARG  35  -5.106  -1.528   4.931
    2    HA   ARG  35           HA       ARG  35  -7.678  -0.694   6.102
    3    HB2  ARG  35           HB2      ARG  35  -6.142  -2.432   7.304
    4    HB3  ARG  35           HB3      ARG  35  -5.184  -1.021   7.732
    5    HG2  ARG  35           HG2      ARG  35  -7.536  -0.105   8.514
    6    HG3  ARG  35           HG3      ARG  35  -7.888  -1.830   8.643
    7    HD2  ARG  35           HD2      ARG  35  -6.163  -2.169  10.209
    8    HD3  ARG  35           HD3      ARG  35  -5.428  -0.606   9.857
    9    HE   ARG  35           HE       ARG  35  -7.512  -1.131  11.721
   10   HH11  ARG  35          HH11      ARG  35  -6.315   1.274   9.493
   11   HH12  ARG  35          HH12      ARG  35  -7.019   2.602  10.353
   12   HH21  ARG  35          HH21      ARG  35  -8.439   0.614  12.853
   13   HH22  ARG  35          HH22      ARG  35  -8.225   2.228  12.261

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  36           H        SER  36  -4.354   0.226   5.431
    2    HA   SER  36           HA       SER  36  -5.140   3.032   5.593
    3    HB2  SER  36           HB2      SER  36  -3.135   1.700   7.345
    4    HB3  SER  36           HB3      SER  36  -2.741   3.309   6.739
    5    HG   SER  36           HG       SER  36  -4.251   2.744   8.781

  No H/Q in entry =           5
  In of MODEL   18
    1    H    CYS  37           H        CYS  37  -3.839   4.440   4.360
    2    HA   CYS  37           HA       CYS  37  -2.660   3.225   2.060
    3    HB2  CYS  37           HB2      CYS  37  -3.885   5.320   1.858
    4    HB3  CYS  37           HB3      CYS  37  -2.747   6.118   2.938

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLU  38           H        GLU  38  -1.459   4.230   5.109
    2    HA   GLU  38           HA       GLU  38   1.230   4.765   4.297
    3    HB2  GLU  38           HB2      GLU  38  -0.151   4.355   6.924
    4    HB3  GLU  38           HB3      GLU  38   1.606   4.346   6.854
    5    HG2  GLU  38           HG2      GLU  38   0.976   6.540   7.416
    6    HG3  GLU  38           HG3      GLU  38   1.461   6.587   5.722

  No H/Q in entry =           6
  In of MODEL   18
    1    H    CYS  39           H        CYS  39   1.785   2.952   3.022
    2    HA   CYS  39           HA       CYS  39   1.610   0.281   3.794
    3    HB2  CYS  39           HB2      CYS  39   2.406   1.506   1.548
    4    HB3  CYS  39           HB3      CYS  39   3.987   1.114   2.215

  No H/Q in entry =           4
  In of MODEL   18
    1    HA   PRO  40           HA       PRO  40   4.400   0.474   7.355
    2    HB2  PRO  40           HB2      PRO  40   4.050  -2.471   7.062
    3    HB3  PRO  40           HB3      PRO  40   3.907  -1.458   8.504
    4    HG2  PRO  40           HG2      PRO  40   1.734  -2.400   7.291
    5    HG3  PRO  40           HG3      PRO  40   1.763  -0.757   7.960
    6    HD2  PRO  40           HD2      PRO  40   1.961  -1.653   5.119
    7    HD3  PRO  40           HD3      PRO  40   1.166  -0.219   5.798

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  41           H        SER  41   6.415  -0.890   7.929
    2    HA   SER  41           HA       SER  41   7.972  -1.285   5.461
    3    HB2  SER  41           HB2      SER  41   8.670  -0.128   8.131
    4    HB3  SER  41           HB3      SER  41   9.933  -0.922   7.191
    5    HG   SER  41           HG       SER  41  10.047   0.864   6.110

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  42           H        TYR  42   6.325  -3.305   6.741
    2    HA   TYR  42           HA       TYR  42   7.942  -5.078   8.258
    3    HB2  TYR  42           HB2      TYR  42   5.295  -5.230   6.899
    4    HB3  TYR  42           HB3      TYR  42   6.089  -6.746   7.312
    5    HD1  TYR  42           HD1      TYR  42   5.627  -7.667   9.376
    6    HD2  TYR  42           HD2      TYR  42   5.269  -3.456   8.889
    7    HE1  TYR  42           HE1      TYR  42   4.796  -7.477  11.683
    8    HE2  TYR  42           HE2      TYR  42   4.438  -3.253  11.195
    9    HH   TYR  42           HH       TYR  42   4.589  -5.844  13.437

  No H/Q in entry =           9
  In of MODEL   18
    1    HA   PRO  43           HA       PRO  43  10.345  -7.020   5.107
    2    HB2  PRO  43           HB2      PRO  43  10.706  -9.484   6.181
    3    HB3  PRO  43           HB3      PRO  43  11.518  -8.041   6.800
    4    HG2  PRO  43           HG2      PRO  43   9.072  -9.426   7.831
    5    HG3  PRO  43           HG3      PRO  43  10.450  -8.769   8.734
    6    HD2  PRO  43           HD2      PRO  43   8.094  -7.452   8.506
    7    HD3  PRO  43           HD3      PRO  43   9.652  -6.610   8.627

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY  44           H        GLY  44  10.267  -8.571   3.428
    2    HA3  GLY  44           HA2      GLY  44   8.032 -10.410   3.283
    3    HA2  GLY  44           HA3      GLY  44   7.944  -9.061   2.160

  No H/Q in entry =           3
  In of MODEL   19
    1    H1   ALA   1           H2       ALA   1 -17.471  12.242   5.372
    2    H2   ALA   1           H1       ALA   1 -18.649  13.318   4.741
    3    H3   ALA   1           H3       ALA   1 -18.600  11.691   4.203
    4    HA   ALA   1           HA       ALA   1 -17.646  12.881   2.519
    5    HB1  ALA   1           HB1      ALA   1 -17.337  14.882   4.191
    6    HB3  ALA   1           HB2      ALA   1 -16.346  14.755   2.737
    7    HB2  ALA   1           HB3      ALA   1 -15.692  14.255   4.297

  No H/Q in entry =           7
  In of MODEL   19
    1    H    MET   2           H        MET   2 -15.856  12.158   1.374
    2    HA   MET   2           HA       MET   2 -13.866  10.590   2.855
    3    HB2  MET   2           HB2      MET   2 -15.901   9.327   1.630
    4    HB3  MET   2           HB3      MET   2 -14.791   9.465   0.273
    5    HG2  MET   2           HG2      MET   2 -13.611   8.493   2.784
    6    HG3  MET   2           HG3      MET   2 -14.794   7.427   2.028
    7    HE3  MET   2           HE1      MET   2 -11.348   5.844   1.000
    8    HE2  MET   2           HE2      MET   2 -12.905   5.554   1.775
    9    HE1  MET   2           HE3      MET   2 -11.735   6.640   2.525

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP   3           H        ASP   3 -11.948  10.056   1.527
    2    HA   ASP   3           HA       ASP   3 -11.527  11.725  -0.818
    3    HB2  ASP   3           HB2      ASP   3  -9.995  12.047   1.760
    4    HB3  ASP   3           HB3      ASP   3  -9.344  12.569   0.208

  No H/Q in entry =           4
  In of MODEL   19
    1    H    CYS   4           H        CYS   4  -9.296  11.324  -1.752
    2    HA   CYS   4           HA       CYS   4  -8.827   8.455  -1.727
    3    HB2  CYS   4           HB2      CYS   4  -8.261  10.691  -3.579
    4    HB3  CYS   4           HB3      CYS   4  -7.067   9.398  -3.557

  No H/Q in entry =           4
  In of MODEL   19
    1    H    THR   5           H        THR   5  -7.386   7.603  -0.397
    2    HA   THR   5           HA       THR   5  -5.470   9.147   1.022
    3    HB   THR   5           HB       THR   5  -4.605   6.623   1.419
    4    HG1  THR   5           HG1      THR   5  -6.204   5.178   1.129
    5   HG22  THR   5          HG21      THR   5  -7.194   7.272   2.715
    6   HG21  THR   5          HG22      THR   5  -5.815   8.336   2.992
    7   HG23  THR   5          HG23      THR   5  -5.708   6.625   3.410

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR   6           H        THR   6  -3.702   9.978   0.137
    2    HA   THR   6           HA       THR   6  -2.506   8.804  -2.218
    3    HB   THR   6           HB       THR   6  -1.071  10.744  -2.245
    4    HG1  THR   6           HG1      THR   6  -2.131  11.366   0.310
    5   HG23  THR   6          HG21      THR   6  -2.591  12.471  -2.522
    6   HG22  THR   6          HG22      THR   6  -3.663  11.861  -1.260
    7   HG21  THR   6          HG23      THR   6  -3.554  11.021  -2.807

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY   7           H        GLY   7  -0.801   7.482  -2.276
    2    HA3  GLY   7           HA2      GLY   7   1.468   7.474  -0.769
    3    HA2  GLY   7           HA3      GLY   7   0.337   6.533   0.191

  No H/Q in entry =           3
  In of MODEL   19
    1    HA   PRO   8           HA       PRO   8   2.475   3.866  -3.084
    2    HB2  PRO   8           HB2      PRO   8   3.810   2.222  -1.385
    3    HB3  PRO   8           HB3      PRO   8   4.501   3.725  -2.006
    4    HG2  PRO   8           HG2      PRO   8   3.202   3.188   0.637
    5    HG3  PRO   8           HG3      PRO   8   4.674   4.112   0.281
    6    HD2  PRO   8           HD2      PRO   8   2.288   5.301   0.751
    7    HD3  PRO   8           HD3      PRO   8   3.493   5.987  -0.357

  No H/Q in entry =           7
  In of MODEL   19
    1    H    CYS   9           H        CYS   9   1.209   2.930   0.107
    2    HA   CYS   9           HA       CYS   9   0.395   0.340  -0.551
    3    HB2  CYS   9           HB2      CYS   9   0.351   1.876   1.715
    4    HB3  CYS   9           HB3      CYS   9  -1.363   1.758   1.335

  No H/Q in entry =           4
  In of MODEL   19
    1    H    CYS  10           H        CYS  10  -1.038   3.419  -1.266
    2    HA   CYS  10           HA       CYS  10  -3.554   2.202  -2.095
    3    HB2  CYS  10           HB2      CYS  10  -2.717   5.106  -2.202
    4    HB3  CYS  10           HB3      CYS  10  -4.344   4.474  -2.428

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ARG  11           H        ARG  11  -4.457   2.901  -4.238
    2    HA   ARG  11           HA       ARG  11  -2.424   2.462  -6.282
    3    HB2  ARG  11           HB2      ARG  11  -4.537   1.096  -6.185
    4    HB3  ARG  11           HB3      ARG  11  -5.424   2.550  -6.621
    5    HG2  ARG  11           HG2      ARG  11  -3.776   2.614  -8.638
    6    HG3  ARG  11           HG3      ARG  11  -3.562   0.902  -8.265
    7    HD2  ARG  11           HD2      ARG  11  -6.168   0.867  -8.249
    8    HD3  ARG  11           HD3      ARG  11  -6.009   2.354  -9.182
    9    HE   ARG  11           HE       ARG  11  -4.370   0.370 -10.314
   10   HH11  ARG  11          HH11      ARG  11  -7.746   1.170  -9.930
   11   HH12  ARG  11          HH12      ARG  11  -8.232   0.357 -11.379
   12   HH21  ARG  11          HH21      ARG  11  -5.008  -0.699 -12.221
   13   HH22  ARG  11          HH22      ARG  11  -6.678  -0.704 -12.680

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  12           H        GLN  12  -2.132   4.938  -5.249
    2    HA   GLN  12           HA       GLN  12  -1.797   7.083  -5.946
    3    HB2  GLN  12           HB2      GLN  12  -1.791   5.806  -8.265
    4    HB3  GLN  12           HB3      GLN  12  -3.306   6.670  -8.484
    5    HG2  GLN  12           HG2      GLN  12  -2.264   8.757  -8.405
    6    HG3  GLN  12           HG3      GLN  12  -0.797   8.096  -7.686
    7   HE21  GLN  12          HE21      GLN  12   0.840   8.076  -9.031
    8   HE22  GLN  12          HE22      GLN  12   0.764   7.812 -10.737

  No H/Q in entry =           8
  In of MODEL   19
    1    H    CYS  13           H        CYS  13  -4.584   5.807  -5.051
    2    HA   CYS  13           HA       CYS  13  -5.855   8.361  -4.737
    3    HB2  CYS  13           HB2      CYS  13  -6.497   7.229  -7.072
    4    HB3  CYS  13           HB3      CYS  13  -7.652   6.384  -6.046

  No H/Q in entry =           4
  In of MODEL   19
    1    H    LYS  14           H        LYS  14  -6.722   4.894  -4.724
    2    HA   LYS  14           HA       LYS  14  -7.569   5.233  -1.921
    3    HB2  LYS  14           HB2      LYS  14  -9.284   4.710  -3.929
    4    HB3  LYS  14           HB3      LYS  14  -8.803   3.068  -3.526
    5    HG2  LYS  14           HG2      LYS  14  -9.498   4.743  -1.222
    6    HG3  LYS  14           HG3      LYS  14 -10.825   4.421  -2.339
    7    HD2  LYS  14           HD2      LYS  14  -9.165   2.089  -1.663
    8    HD3  LYS  14           HD3      LYS  14 -10.084   2.769  -0.319
    9    HE2  LYS  14           HE2      LYS  14 -11.697   1.400  -1.116
   10    HE3  LYS  14           HE3      LYS  14 -11.993   2.759  -2.199
   11    HZ1  LYS  14           HZ1      LYS  14 -10.153   0.547  -2.898
   12    HZ3  LYS  14           HZ2      LYS  14 -10.826   1.709  -3.927
   13    HZ2  LYS  14           HZ3      LYS  14 -11.805   0.501  -3.263

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  15           H        LEU  15  -7.396   3.324  -0.578
    2    HA   LEU  15           HA       LEU  15  -4.910   2.091  -0.694
    3    HB2  LEU  15           HB2      LEU  15  -6.043   0.385   0.904
    4    HB3  LEU  15           HB3      LEU  15  -5.834   2.049   1.413
    5    HG   LEU  15           HG       LEU  15  -8.401   1.492   0.085
    6   HD12  LEU  15          HD11      LEU  15  -7.790   0.304   2.788
    7   HD11  LEU  15          HD12      LEU  15  -8.122  -0.598   1.309
    8   HD13  LEU  15          HD13      LEU  15  -9.381   0.401   2.034
    9   HD22  LEU  15          HD21      LEU  15  -9.115   3.197   1.376
   10   HD21  LEU  15          HD22      LEU  15  -7.389   3.528   1.533
   11   HD23  LEU  15          HD23      LEU  15  -8.234   2.633   2.796

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  16           H        LYS  16  -4.111   0.345  -1.689
    2    HA   LYS  16           HA       LYS  16  -5.565  -0.918  -3.761
    3    HB2  LYS  16           HB2      LYS  16  -2.863  -1.224  -2.554
    4    HB3  LYS  16           HB3      LYS  16  -3.476  -2.561  -3.517
    5    HG2  LYS  16           HG2      LYS  16  -3.866  -0.958  -5.379
    6    HG3  LYS  16           HG3      LYS  16  -3.068   0.282  -4.410
    7    HD2  LYS  16           HD2      LYS  16  -1.576  -2.236  -4.683
    8    HD3  LYS  16           HD3      LYS  16  -1.802  -1.337  -6.184
    9    HE2  LYS  16           HE2      LYS  16   0.051  -0.249  -5.514
   10    HE3  LYS  16           HE3      LYS  16  -1.085   0.664  -4.521
   11    HZ2  LYS  16           HZ1      LYS  16   0.862  -0.158  -3.282
   12    HZ1  LYS  16           HZ2      LYS  16   0.382  -1.748  -3.601
   13    HZ3  LYS  16           HZ3      LYS  16  -0.599  -0.742  -2.661

  No H/Q in entry =          13
  In of MODEL   19
    1    HA   PRO  17           HA       PRO  17  -7.543  -4.464  -2.080
    2    HB2  PRO  17           HB2      PRO  17  -5.709  -6.238  -3.614
    3    HB3  PRO  17           HB3      PRO  17  -7.476  -6.190  -3.596
    4    HG2  PRO  17           HG2      PRO  17  -6.110  -5.211  -5.662
    5    HG3  PRO  17           HG3      PRO  17  -7.574  -4.403  -5.070
    6    HD2  PRO  17           HD2      PRO  17  -4.708  -3.656  -4.686
    7    HD3  PRO  17           HD3      PRO  17  -6.126  -2.613  -4.919

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  18           H        ALA  18  -7.371  -5.763  -0.317
    2    HA   ALA  18           HA       ALA  18  -5.093  -5.643   1.305
    3    HB1  ALA  18           HB1      ALA  18  -7.547  -6.142   1.926
    4    HB3  ALA  18           HB2      ALA  18  -6.265  -6.935   2.841
    5    HB2  ALA  18           HB3      ALA  18  -7.130  -7.821   1.585

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  19           H        GLY  19  -3.188  -6.496   0.750
    2    HA3  GLY  19           HA2      GLY  19  -1.924  -8.597   0.858
    3    HA2  GLY  19           HA3      GLY  19  -3.166  -9.307  -0.162

  No H/Q in entry =           3
  In of MODEL   19
    1    H    THR  20           H        THR  20  -2.020  -6.086  -0.790
    2    HA   THR  20           HA       THR  20  -0.572  -7.109  -3.144
    3    HB   THR  20           HB       THR  20  -2.065  -4.494  -2.863
    4    HG1  THR  20           HG1      THR  20  -3.691  -5.467  -3.773
    5   HG23  THR  20          HG21      THR  20  -0.550  -3.938  -4.467
    6   HG22  THR  20          HG22      THR  20  -1.796  -4.689  -5.463
    7   HG21  THR  20          HG23      THR  20  -0.354  -5.602  -5.019

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR  21           H        THR  21   1.543  -6.798  -3.053
    2    HA   THR  21           HA       THR  21   2.828  -5.268  -1.078
    3    HB   THR  21           HB       THR  21   4.023  -7.085  -2.041
    4    HG1  THR  21           HG1      THR  21   5.443  -5.472  -1.567
    5   HG21  THR  21          HG21      THR  21   2.876  -6.322  -4.465
    6   HG23  THR  21          HG22      THR  21   3.973  -7.671  -4.168
    7   HG22  THR  21          HG23      THR  21   4.614  -6.106  -4.668

  No H/Q in entry =           7
  In of MODEL   19
    1    H    CYS  22           H        CYS  22   3.339  -3.180  -0.955
    2    HA   CYS  22           HA       CYS  22   2.587  -1.420  -3.131
    3    HB2  CYS  22           HB2      CYS  22   3.024   0.391  -1.542
    4    HB3  CYS  22           HB3      CYS  22   1.980  -0.832  -0.826

  No H/Q in entry =           4
  In of MODEL   19
    1    H    TRP  23           H        TRP  23   5.487  -2.629  -1.608
    2    HA   TRP  23           HA       TRP  23   7.101  -1.022  -3.478
    3    HB2  TRP  23           HB2      TRP  23   7.305  -1.167  -0.705
    4    HB3  TRP  23           HB3      TRP  23   8.602  -2.208  -1.283
    5    HD1  TRP  23           HD1      TRP  23   8.899   0.759   0.131
    6    HE1  TRP  23           HE1      TRP  23  10.337   2.505  -1.096
    7    HE3  TRP  23           HE3      TRP  23   8.801  -1.261  -4.567
    8    HZ2  TRP  23           HZ2      TRP  23  11.302   2.966  -3.708
    9    HZ3  TRP  23           HZ3      TRP  23  10.007  -0.104  -6.372
   10    HH2  TRP  23           HH2      TRP  23  11.231   1.966  -5.951

  No H/Q in entry =          10
  In of MODEL   19
    1    H    ARG  24           H        ARG  24   6.946  -2.537  -5.159
    2    HA   ARG  24           HA       ARG  24   8.266  -5.121  -4.652
    3    HB2  ARG  24           HB2      ARG  24   5.809  -4.774  -5.696
    4    HB3  ARG  24           HB3      ARG  24   6.761  -4.703  -7.172
    5    HG2  ARG  24           HG2      ARG  24   6.895  -6.949  -5.174
    6    HG3  ARG  24           HG3      ARG  24   5.901  -6.962  -6.632
    7    HD2  ARG  24           HD2      ARG  24   7.981  -6.597  -7.961
    8    HD3  ARG  24           HD3      ARG  24   8.906  -6.796  -6.474
    9    HE   ARG  24           HE       ARG  24   7.135  -8.987  -6.996
   10   HH11  ARG  24          HH11      ARG  24  10.276  -7.647  -7.712
   11   HH12  ARG  24          HH12      ARG  24  10.978  -9.179  -8.110
   12   HH21  ARG  24          HH21      ARG  24   8.056 -11.004  -7.518
   13   HH22  ARG  24          HH22      ARG  24   9.718 -11.085  -8.000

  No H/Q in entry =          13
  In of MODEL   19
    1    H    THR  25           H        THR  25  10.365  -4.213  -4.862
    2    HA   THR  25           HA       THR  25  11.083  -3.536  -7.640
    3    HB   THR  25           HB       THR  25  11.384  -1.571  -6.295
    4    HG1  THR  25           HG1      THR  25  13.648  -1.310  -6.496
    5   HG21  THR  25          HG21      THR  25  12.051  -3.361  -4.217
    6   HG23  THR  25          HG22      THR  25  11.868  -1.609  -4.145
    7   HG22  THR  25          HG23      THR  25  13.444  -2.316  -4.496

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  26           H        SER  26  10.961  -6.175  -6.542
    2    HA   SER  26           HA       SER  26  12.167  -8.102  -6.495
    3    HB2  SER  26           HB2      SER  26  13.893  -6.278  -8.112
    4    HB3  SER  26           HB3      SER  26  14.569  -7.819  -7.586
    5    HG   SER  26           HG       SER  26  12.337  -7.339  -9.243

  No H/Q in entry =           5
  In of MODEL   19
    1    H    VAL  27           H        VAL  27  12.196  -6.505  -4.178
    2    HA   VAL  27           HA       VAL  27  14.223  -7.729  -2.689
    3    HB   VAL  27           HB       VAL  27  15.718  -6.167  -3.863
    4   HG11  VAL  27          HG11      VAL  27  13.933  -4.389  -4.115
    5   HG13  VAL  27          HG12      VAL  27  15.547  -3.820  -3.687
    6   HG12  VAL  27          HG13      VAL  27  14.293  -3.927  -2.452
    7   HG21  VAL  27          HG21      VAL  27  15.348  -6.223  -0.953
    8   HG23  VAL  27          HG22      VAL  27  16.331  -4.884  -1.545
    9   HG22  VAL  27          HG23      VAL  27  16.784  -6.546  -1.923

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  28           H        SER  28  12.112  -4.927  -2.986
    2    HA   SER  28           HA       SER  28  11.747  -4.748  -0.114
    3    HB2  SER  28           HB2      SER  28  10.311  -3.221  -2.296
    4    HB3  SER  28           HB3      SER  28  10.372  -2.813  -0.582
    5    HG   SER  28           HG       SER  28  12.717  -2.664  -0.907

  No H/Q in entry =           5
  In of MODEL   19
    1    H    SER  29           H        SER  29   9.805  -5.116   0.977
    2    HA   SER  29           HA       SER  29   7.492  -6.134  -0.382
    3    HB2  SER  29           HB2      SER  29   8.856  -8.072   1.482
    4    HB3  SER  29           HB3      SER  29   7.522  -8.377   0.371
    5    HG   SER  29           HG       SER  29   8.895  -8.398  -1.304

  No H/Q in entry =           5
  In of MODEL   19
    1    H    HIS  30           H        HIS  30   6.166  -4.774   0.691
    2    HA   HIS  30           HA       HIS  30   6.241  -4.820   3.634
    3    HB2  HIS  30           HB2      HIS  30   5.065  -2.729   1.790
    4    HB3  HIS  30           HB3      HIS  30   5.074  -2.656   3.549
    5    HD1  HIS  30           HD1      HIS  30   6.729  -0.956   4.224
    6    HD2  HIS  30           HD2      HIS  30   8.086  -3.241   1.031
    7    HE1  HIS  30           HE1      HIS  30   9.063  -0.143   3.760
    8    HE2  HIS  30           HE2      HIS  30   9.895  -1.600   1.881

  No H/Q in entry =           8
  In of MODEL   19
    1    H    TYR  31           H        TYR  31   4.245  -5.307   0.814
    2    HA   TYR  31           HA       TYR  31   2.194  -6.246   0.527
    3    HB2  TYR  31           HB2      TYR  31   3.075  -7.327   3.153
    4    HB3  TYR  31           HB3      TYR  31   1.371  -7.505   2.746
    5    HD1  TYR  31           HD1      TYR  31   4.154  -9.344   2.854
    6    HD2  TYR  31           HD2      TYR  31   1.309  -8.094  -0.052
    7    HE1  TYR  31           HE1      TYR  31   4.693 -11.315   1.487
    8    HE2  TYR  31           HE2      TYR  31   1.840 -10.062  -1.427
    9    HH   TYR  31           HH       TYR  31   4.254 -11.673  -1.480

  No H/Q in entry =           9
  In of MODEL   19
    1    H    CYS  32           H        CYS  32   0.482  -4.977   0.323
    2    HA   CYS  32           HA       CYS  32  -0.203  -3.076   2.398
    3    HB2  CYS  32           HB2      CYS  32  -0.213  -2.678  -0.169
    4    HB3  CYS  32           HB3      CYS  32  -1.775  -3.489  -0.129

  No H/Q in entry =           4
  In of MODEL   19
    1    H    THR  33           H        THR  33  -1.903  -3.186   3.754
    2    HA   THR  33           HA       THR  33  -3.419  -5.674   3.791
    3    HB   THR  33           HB       THR  33  -3.991  -5.150   6.032
    4    HG1  THR  33           HG1      THR  33  -3.791  -3.126   6.896
    5   HG23  THR  33          HG21      THR  33  -1.986  -5.224   7.043
    6   HG22  THR  33          HG22      THR  33  -1.362  -3.834   6.154
    7   HG21  THR  33          HG23      THR  33  -1.410  -5.422   5.388

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY  34           H        GLY  34  -3.844  -3.103   2.029
    2    HA3  GLY  34           HA2      GLY  34  -5.626  -1.910   1.195
    3    HA2  GLY  34           HA3      GLY  34  -6.508  -3.404   1.465

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ARG  35           H        ARG  35  -5.112  -1.087   3.774
    2    HA   ARG  35           HA       ARG  35  -7.812  -0.392   4.660
    3    HB2  ARG  35           HB2      ARG  35  -5.717  -1.772   6.262
    4    HB3  ARG  35           HB3      ARG  35  -6.694  -0.553   7.069
    5    HG2  ARG  35           HG2      ARG  35  -8.565  -1.819   7.021
    6    HG3  ARG  35           HG3      ARG  35  -8.153  -2.565   5.475
    7    HD2  ARG  35           HD2      ARG  35  -8.121  -4.098   7.477
    8    HD3  ARG  35           HD3      ARG  35  -6.655  -4.081   6.498
    9    HE   ARG  35           HE       ARG  35  -6.578  -2.252   8.711
   10   HH11  ARG  35          HH11      ARG  35  -6.018  -5.548   7.712
   11   HH12  ARG  35          HH12      ARG  35  -4.890  -5.874   8.985
   12   HH21  ARG  35          HH21      ARG  35  -5.095  -2.679  10.386
   13   HH22  ARG  35          HH22      ARG  35  -4.366  -4.246  10.503

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  36           H        SER  36  -4.348   0.216   5.051
    2    HA   SER  36           HA       SER  36  -4.963   3.088   5.251
    3    HB2  SER  36           HB2      SER  36  -3.246   1.388   6.989
    4    HB3  SER  36           HB3      SER  36  -2.666   3.013   6.623
    5    HG   SER  36           HG       SER  36  -4.756   2.202   8.211

  No H/Q in entry =           5
  In of MODEL   19
    1    H    CYS  37           H        CYS  37  -3.493   4.512   4.288
    2    HA   CYS  37           HA       CYS  37  -2.155   3.469   1.988
    3    HB2  CYS  37           HB2      CYS  37  -3.242   5.904   2.662
    4    HB3  CYS  37           HB3      CYS  37  -1.515   6.234   2.722

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLU  38           H        GLU  38  -1.211   4.092   5.222
    2    HA   GLU  38           HA       GLU  38   1.588   4.473   4.649
    3    HB2  GLU  38           HB2      GLU  38  -0.084   4.281   7.112
    4    HB3  GLU  38           HB3      GLU  38   1.643   3.982   7.253
    5    HG2  GLU  38           HG2      GLU  38   1.731   6.255   5.867
    6    HG3  GLU  38           HG3      GLU  38   0.187   6.489   6.684

  No H/Q in entry =           6
  In of MODEL   19
    1    H    CYS  39           H        CYS  39   2.374   2.700   3.580
    2    HA   CYS  39           HA       CYS  39   1.793   0.025   4.165
    3    HB2  CYS  39           HB2      CYS  39   3.419   1.422   2.336
    4    HB3  CYS  39           HB3      CYS  39   4.487   0.303   3.174

  No H/Q in entry =           4
  In of MODEL   19
    1    HA   PRO  40           HA       PRO  40   4.063  -0.730   7.881
    2    HB2  PRO  40           HB2      PRO  40   4.483  -3.399   7.664
    3    HB3  PRO  40           HB3      PRO  40   2.898  -2.708   8.029
    4    HG2  PRO  40           HG2      PRO  40   3.981  -3.687   5.415
    5    HG3  PRO  40           HG3      PRO  40   2.377  -3.944   6.129
    6    HD2  PRO  40           HD2      PRO  40   2.844  -2.087   4.210
    7    HD3  PRO  40           HD3      PRO  40   1.614  -1.872   5.471

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  41           H        SER  41   6.123  -0.334   8.363
    2    HA   SER  41           HA       SER  41   8.190  -0.374   6.454
    3    HB2  SER  41           HB2      SER  41   9.630   0.347   8.201
    4    HB3  SER  41           HB3      SER  41   8.050   1.035   8.578
    5    HG   SER  41           HG       SER  41   7.742  -0.736  10.024

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  42           H        TYR  42   7.121  -2.718   8.818
    2    HA   TYR  42           HA       TYR  42   9.440  -4.407   8.488
    3    HB2  TYR  42           HB2      TYR  42   8.279  -5.947   9.989
    4    HB3  TYR  42           HB3      TYR  42   8.250  -4.312  10.641
    5    HD1  TYR  42           HD1      TYR  42   6.222  -6.927   9.011
    6    HD2  TYR  42           HD2      TYR  42   6.189  -3.150  10.968
    7    HE1  TYR  42           HE1      TYR  42   3.775  -7.059   9.210
    8    HE2  TYR  42           HE2      TYR  42   3.741  -3.271  11.174
    9    HH   TYR  42           HH       TYR  42   1.839  -5.066   9.463

  No H/Q in entry =           9
  In of MODEL   19
    1    HA   PRO  43           HA       PRO  43   8.008  -6.747   5.033
    2    HB2  PRO  43           HB2      PRO  43   9.186  -9.144   5.510
    3    HB3  PRO  43           HB3      PRO  43  10.089  -7.722   4.978
    4    HG2  PRO  43           HG2      PRO  43   9.777  -8.844   7.736
    5    HG3  PRO  43           HG3      PRO  43  11.234  -8.222   6.940
    6    HD2  PRO  43           HD2      PRO  43   9.808  -6.759   8.716
    7    HD3  PRO  43           HD3      PRO  43  10.673  -6.024   7.352

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY  44           H        GLY  44   6.097  -7.663   4.631
    2    HA3  GLY  44           HA2      GLY  44   4.542  -9.462   4.814
    3    HA2  GLY  44           HA3      GLY  44   5.088  -9.725   6.463

  No H/Q in entry =           3
  In of MODEL   20
    1    H1   ALA   1           H1       ALA   1 -12.888  15.808   0.181
    2    H2   ALA   1           H3       ALA   1 -13.628  17.337   0.412
    3    H3   ALA   1           H2       ALA   1 -13.919  16.066   1.528
    4    HA   ALA   1           HA       ALA   1 -15.795  16.115   0.269
    5    HB3  ALA   1           HB1      ALA   1 -13.918  16.875  -1.887
    6    HB1  ALA   1           HB2      ALA   1 -15.524  17.497  -1.505
    7    HB2  ALA   1           HB3      ALA   1 -15.352  15.963  -2.359

  No H/Q in entry =           7
  In of MODEL   20
    1    H    MET   2           H        MET   2 -13.268  14.551  -1.701
    2    HA   MET   2           HA       MET   2 -14.734  12.042  -1.556
    3    HB2  MET   2           HB2      MET   2 -13.532  13.120  -3.639
    4    HB3  MET   2           HB3      MET   2 -12.115  12.323  -2.970
    5    HG2  MET   2           HG2      MET   2 -12.866  10.251  -3.472
    6    HG3  MET   2           HG3      MET   2 -14.558  10.687  -3.242
    7    HE2  MET   2           HE1      MET   2 -14.551  13.416  -5.512
    8    HE1  MET   2           HE2      MET   2 -15.726  12.369  -4.716
    9    HE3  MET   2           HE3      MET   2 -15.594  12.369  -6.475

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP   3           H        ASP   3 -11.787  13.489  -0.360
    2    HA   ASP   3           HA       ASP   3 -10.249  12.810   1.170
    3    HB2  ASP   3           HB2      ASP   3 -12.673  11.236   1.888
    4    HB3  ASP   3           HB3      ASP   3 -11.146  10.759   2.625

  No H/Q in entry =           4
  In of MODEL   20
    1    H    CYS   4           H        CYS   4  -8.470  11.937   0.342
    2    HA   CYS   4           HA       CYS   4  -8.523   9.089  -0.382
    3    HB2  CYS   4           HB2      CYS   4  -6.956  11.155  -1.929
    4    HB3  CYS   4           HB3      CYS   4  -7.203   9.461  -2.341

  No H/Q in entry =           4
  In of MODEL   20
    1    H    THR   5           H        THR   5  -7.308   8.150   1.127
    2    HA   THR   5           HA       THR   5  -5.237   9.449   2.555
    3    HB   THR   5           HB       THR   5  -5.713   6.478   2.262
    4    HG1  THR   5           HG1      THR   5  -6.848   8.388   4.014
    5   HG21  THR   5          HG21      THR   5  -3.562   7.155   3.338
    6   HG23  THR   5          HG22      THR   5  -4.644   6.205   4.356
    7   HG22  THR   5          HG23      THR   5  -4.516   7.948   4.591

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR   6           H        THR   6  -4.043  10.293   0.681
    2    HA   THR   6           HA       THR   6  -2.743   8.790  -1.237
    3    HB   THR   6           HB       THR   6  -1.040  10.648  -1.251
    4    HG1  THR   6           HG1      THR   6  -2.665  11.733   0.799
    5   HG22  THR   6          HG21      THR   6  -3.608  12.075  -1.085
    6   HG21  THR   6          HG22      THR   6  -3.537  10.718  -2.209
    7   HG23  THR   6          HG23      THR   6  -2.394  12.053  -2.364

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY   7           H        GLY   7  -1.444   7.102  -1.003
    2    HA3  GLY   7           HA2      GLY   7   0.925   7.263   0.602
    3    HA2  GLY   7           HA3      GLY   7  -0.265   6.169   1.289

  No H/Q in entry =           3
  In of MODEL   20
    1    HA   PRO   8           HA       PRO   8   2.631   4.149  -1.988
    2    HB2  PRO   8           HB2      PRO   8   2.998   2.350   0.357
    3    HB3  PRO   8           HB3      PRO   8   4.179   2.896  -0.838
    4    HG2  PRO   8           HG2      PRO   8   4.162   3.925   1.616
    5    HG3  PRO   8           HG3      PRO   8   4.482   4.947   0.203
    6    HD2  PRO   8           HD2      PRO   8   2.006   4.714   1.854
    7    HD3  PRO   8           HD3      PRO   8   2.716   6.145   1.079

  No H/Q in entry =           7
  In of MODEL   20
    1    H    CYS   9           H        CYS   9   0.287   3.012   0.385
    2    HA   CYS   9           HA       CYS   9  -0.422   0.756  -1.340
    3    HB2  CYS   9           HB2      CYS   9  -0.082   0.525   1.185
    4    HB3  CYS   9           HB3      CYS   9  -1.611   1.379   1.359

  No H/Q in entry =           4
  In of MODEL   20
    1    H    CYS  10           H        CYS  10  -1.032   3.524  -2.064
    2    HA   CYS  10           HA       CYS  10  -3.955   3.261  -2.269
    3    HB2  CYS  10           HB2      CYS  10  -2.619   5.262  -0.852
    4    HB3  CYS  10           HB3      CYS  10  -3.066   6.026  -2.372

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ARG  11           H        ARG  11  -4.312   2.765  -4.338
    2    HA   ARG  11           HA       ARG  11  -2.635   3.184  -6.491
    3    HB2  ARG  11           HB2      ARG  11  -4.956   1.880  -6.174
    4    HB3  ARG  11           HB3      ARG  11  -5.547   3.294  -7.035
    5    HG2  ARG  11           HG2      ARG  11  -4.444   2.758  -8.963
    6    HG3  ARG  11           HG3      ARG  11  -3.177   1.865  -8.119
    7    HD2  ARG  11           HD2      ARG  11  -4.785   0.469  -9.466
    8    HD3  ARG  11           HD3      ARG  11  -4.592  -0.002  -7.778
    9    HE   ARG  11           HE       ARG  11  -6.755   1.767  -7.971
   10   HH11  ARG  11          HH11      ARG  11  -5.876  -1.472  -8.928
   11   HH12  ARG  11          HH12      ARG  11  -7.505  -2.058  -8.894
   12   HH21  ARG  11          HH21      ARG  11  -8.898   0.998  -7.926
   13   HH22  ARG  11          HH22      ARG  11  -9.221  -0.656  -8.326

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  12           H        GLN  12  -4.907   5.348  -5.026
    2    HA   GLN  12           HA       GLN  12  -3.827   7.701  -5.919
    3    HB2  GLN  12           HB2      GLN  12  -4.345   7.119  -8.204
    4    HB3  GLN  12           HB3      GLN  12  -5.998   6.705  -7.776
    5    HG2  GLN  12           HG2      GLN  12  -5.488   9.396  -6.990
    6    HG3  GLN  12           HG3      GLN  12  -4.979   9.178  -8.664
    7   HE21  GLN  12          HE21      GLN  12  -7.590   7.566  -6.927
    8   HE22  GLN  12          HE22      GLN  12  -8.867   8.158  -7.930

  No H/Q in entry =           8
  In of MODEL   20
    1    H    CYS  13           H        CYS  13  -6.692   5.894  -5.121
    2    HA   CYS  13           HA       CYS  13  -7.400   7.583  -2.988
    3    HB2  CYS  13           HB2      CYS  13  -8.078   9.056  -4.905
    4    HB3  CYS  13           HB3      CYS  13  -9.253   7.828  -5.363

  No H/Q in entry =           4
  In of MODEL   20
    1    H    LYS  14           H        LYS  14  -7.077   4.779  -3.590
    2    HA   LYS  14           HA       LYS  14  -9.497   3.815  -2.360
    3    HB2  LYS  14           HB2      LYS  14  -9.583   3.785  -5.052
    4    HB3  LYS  14           HB3      LYS  14  -8.769   2.251  -4.773
    5    HG2  LYS  14           HG2      LYS  14 -10.915   1.528  -4.743
    6    HG3  LYS  14           HG3      LYS  14 -10.746   1.944  -3.036
    7    HD2  LYS  14           HD2      LYS  14 -11.521   4.326  -4.056
    8    HD3  LYS  14           HD3      LYS  14 -12.351   3.220  -5.153
    9    HE2  LYS  14           HE2      LYS  14 -13.945   3.255  -3.560
   10    HE3  LYS  14           HE3      LYS  14 -12.908   2.056  -2.787
   11    HZ3  LYS  14           HZ1      LYS  14 -12.236   3.516  -1.213
   12    HZ2  LYS  14           HZ2      LYS  14 -13.739   4.219  -1.541
   13    HZ1  LYS  14           HZ3      LYS  14 -12.336   4.863  -2.232

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  15           H        LEU  15  -8.623   2.762  -0.702
    2    HA   LEU  15           HA       LEU  15  -6.089   1.813  -0.389
    3    HB2  LEU  15           HB2      LEU  15  -8.360   1.778   1.114
    4    HB3  LEU  15           HB3      LEU  15  -8.129   0.067   0.807
    5    HG   LEU  15           HG       LEU  15  -5.732   1.534   1.716
    6   HD12  LEU  15          HD11      LEU  15  -6.891   0.943   4.115
    7   HD11  LEU  15          HD12      LEU  15  -8.248   1.600   3.201
    8   HD13  LEU  15          HD13      LEU  15  -6.779   2.554   3.407
    9   HD22  LEU  15          HD21      LEU  15  -5.283  -0.689   1.631
   10   HD21  LEU  15          HD22      LEU  15  -6.955  -1.153   1.946
   11   HD23  LEU  15          HD23      LEU  15  -5.922  -0.620   3.273

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  16           H        LYS  16  -4.998   0.581  -1.762
    2    HA   LYS  16           HA       LYS  16  -5.915  -1.155  -3.648
    3    HB2  LYS  16           HB2      LYS  16  -3.354  -0.989  -2.123
    4    HB3  LYS  16           HB3      LYS  16  -3.622  -2.382  -3.161
    5    HG2  LYS  16           HG2      LYS  16  -4.207  -0.608  -4.961
    6    HG3  LYS  16           HG3      LYS  16  -3.331   0.495  -3.897
    7    HD2  LYS  16           HD2      LYS  16  -2.059  -2.106  -4.580
    8    HD3  LYS  16           HD3      LYS  16  -2.107  -0.850  -5.820
    9    HE2  LYS  16           HE2      LYS  16  -1.079  -0.373  -3.032
   10    HE3  LYS  16           HE3      LYS  16  -0.044  -0.892  -4.362
   11    HZ2  LYS  16           HZ1      LYS  16  -0.448   1.647  -3.768
   12    HZ1  LYS  16           HZ2      LYS  16  -1.733   1.432  -4.846
   13    HZ3  LYS  16           HZ3      LYS  16  -0.148   1.122  -5.348

  No H/Q in entry =          13
  In of MODEL   20
    1    HA   PRO  17           HA       PRO  17  -7.601  -4.841  -1.940
    2    HB2  PRO  17           HB2      PRO  17  -5.558  -6.351  -3.500
    3    HB3  PRO  17           HB3      PRO  17  -7.313  -6.548  -3.458
    4    HG2  PRO  17           HG2      PRO  17  -6.131  -5.368  -5.530
    5    HG3  PRO  17           HG3      PRO  17  -7.680  -4.771  -4.904
    6    HD2  PRO  17           HD2      PRO  17  -4.938  -3.641  -4.576
    7    HD3  PRO  17           HD3      PRO  17  -6.494  -2.803  -4.738

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  18           H        ALA  18  -7.299  -5.944  -0.095
    2    HA   ALA  18           HA       ALA  18  -4.974  -5.663   1.441
    3    HB2  ALA  18           HB1      ALA  18  -6.759  -7.963   2.003
    4    HB1  ALA  18           HB2      ALA  18  -7.475  -6.351   2.036
    5    HB3  ALA  18           HB3      ALA  18  -6.115  -6.734   3.091

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  19           H        GLY  19  -3.056  -6.482   0.888
    2    HA3  GLY  19           HA2      GLY  19  -1.705  -8.517   1.031
    3    HA2  GLY  19           HA3      GLY  19  -2.958  -9.329   0.105

  No H/Q in entry =           3
  In of MODEL   20
    1    H    THR  20           H        THR  20  -1.950  -6.104  -0.719
    2    HA   THR  20           HA       THR  20  -0.578  -7.185  -3.093
    3    HB   THR  20           HB       THR  20  -2.154  -4.614  -2.853
    4    HG1  THR  20           HG1      THR  20  -3.695  -5.644  -4.029
    5   HG22  THR  20          HG21      THR  20  -1.229  -5.821  -5.422
    6   HG21  THR  20          HG22      THR  20  -0.197  -4.712  -4.518
    7   HG23  THR  20          HG23      THR  20  -1.779  -4.179  -5.089

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR  21           H        THR  21   1.458  -6.549  -3.454
    2    HA   THR  21           HA       THR  21   2.937  -5.191  -1.505
    3    HB   THR  21           HB       THR  21   4.293  -4.955  -3.995
    4    HG1  THR  21           HG1      THR  21   3.771  -6.679  -5.070
    5   HG23  THR  21          HG21      THR  21   5.584  -5.488  -2.140
    6   HG22  THR  21          HG22      THR  21   5.548  -6.980  -3.080
    7   HG21  THR  21          HG23      THR  21   4.517  -6.808  -1.659

  No H/Q in entry =           7
  In of MODEL   20
    1    H    CYS  22           H        CYS  22   3.838  -3.130  -1.430
    2    HA   CYS  22           HA       CYS  22   2.316  -1.112  -2.904
    3    HB2  CYS  22           HB2      CYS  22   3.294   0.470  -1.219
    4    HB3  CYS  22           HB3      CYS  22   2.282  -0.793  -0.526

  No H/Q in entry =           4
  In of MODEL   20
    1    H    TRP  23           H        TRP  23   5.556  -2.330  -2.455
    2    HA   TRP  23           HA       TRP  23   6.468  -0.523  -4.584
    3    HB2  TRP  23           HB2      TRP  23   7.356   0.298  -2.454
    4    HB3  TRP  23           HB3      TRP  23   8.035  -1.289  -2.114
    5    HD1  TRP  23           HD1      TRP  23   8.346   0.262  -5.599
    6    HE1  TRP  23           HE1      TRP  23  10.828   0.770  -6.053
    7    HE3  TRP  23           HE3      TRP  23  10.248  -0.762  -0.964
    8    HZ2  TRP  23           HZ2      TRP  23  13.269   0.740  -4.636
    9    HZ3  TRP  23           HZ3      TRP  23  12.667  -0.498  -0.597
   10    HH2  TRP  23           HH2      TRP  23  14.145   0.238  -2.396

  No H/Q in entry =          10
  In of MODEL   20
    1    H    ARG  24           H        ARG  24   7.994  -3.135  -2.737
    2    HA   ARG  24           HA       ARG  24   9.033  -5.054  -3.380
    3    HB2  ARG  24           HB2      ARG  24   6.550  -5.293  -4.277
    4    HB3  ARG  24           HB3      ARG  24   7.354  -5.234  -5.839
    5    HG2  ARG  24           HG2      ARG  24   8.890  -7.064  -4.658
    6    HG3  ARG  24           HG3      ARG  24   7.396  -7.331  -3.758
    7    HD2  ARG  24           HD2      ARG  24   6.883  -8.685  -5.477
    8    HD3  ARG  24           HD3      ARG  24   6.445  -7.182  -6.287
    9    HE   ARG  24           HE       ARG  24   8.155  -7.561  -7.737
   10   HH11  ARG  24          HH11      ARG  24   8.858  -9.265  -4.774
   11   HH12  ARG  24          HH12      ARG  24  10.307  -9.988  -5.386
   12   HH21  ARG  24          HH21      ARG  24  10.060  -8.511  -8.545
   13   HH22  ARG  24          HH22      ARG  24  10.991  -9.560  -7.527

  No H/Q in entry =          13
  In of MODEL   20
    1    H    THR  25           H        THR  25  11.013  -4.049  -3.859
    2    HA   THR  25           HA       THR  25  11.531  -3.104  -6.541
    3    HB   THR  25           HB       THR  25  12.601  -1.924  -4.739
    4    HG1  THR  25           HG1      THR  25  14.553  -3.512  -6.042
    5   HG22  THR  25          HG21      THR  25  14.386  -3.029  -3.388
    6   HG21  THR  25          HG22      THR  25  13.767  -4.579  -3.958
    7   HG23  THR  25          HG23      THR  25  12.739  -3.520  -2.993

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  26           H        SER  26  12.361  -5.884  -4.546
    2    HA   SER  26           HA       SER  26  12.596  -7.660  -6.685
    3    HB2  SER  26           HB2      SER  26  15.227  -7.955  -6.225
    4    HB3  SER  26           HB3      SER  26  14.597  -6.919  -7.506
    5    HG   SER  26           HG       SER  26  16.214  -6.089  -5.817

  No H/Q in entry =           5
  In of MODEL   20
    1    H    VAL  27           H        VAL  27  13.755  -6.821  -3.469
    2    HA   VAL  27           HA       VAL  27  13.340  -9.624  -2.659
    3    HB   VAL  27           HB       VAL  27  15.234  -7.678  -1.343
    4   HG13  VAL  27          HG11      VAL  27  15.712  -9.284   0.165
    5   HG12  VAL  27          HG12      VAL  27  15.537 -10.588  -1.009
    6   HG11  VAL  27          HG13      VAL  27  14.106  -9.876  -0.263
    7   HG22  VAL  27          HG21      VAL  27  16.908  -8.295  -2.702
    8   HG21  VAL  27          HG22      VAL  27  15.626  -8.787  -3.808
    9   HG23  VAL  27          HG23      VAL  27  16.380  -9.977  -2.748

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  28           H        SER  28  13.080  -6.241  -1.706
    2    HA   SER  28           HA       SER  28  11.615  -6.876   0.701
    3    HB2  SER  28           HB2      SER  28  12.833  -4.491  -0.491
    4    HB3  SER  28           HB3      SER  28  11.293  -4.167   0.305
    5    HG   SER  28           HG       SER  28  12.147  -5.178   2.176

  No H/Q in entry =           5
  In of MODEL   20
    1    H    SER  29           H        SER  29   9.805  -7.994  -0.112
    2    HA   SER  29           HA       SER  29   7.969  -6.491  -1.824
    3    HB2  SER  29           HB2      SER  29   7.693  -9.339  -0.842
    4    HB3  SER  29           HB3      SER  29   6.787  -8.568  -2.143
    5    HG   SER  29           HG       SER  29   9.601  -8.921  -2.169

  No H/Q in entry =           5
  In of MODEL   20
    1    H    HIS  30           H        HIS  30   7.471  -4.955  -0.124
    2    HA   HIS  30           HA       HIS  30   6.202  -5.806   2.288
    3    HB2  HIS  30           HB2      HIS  30   6.291  -3.103   0.934
    4    HB3  HIS  30           HB3      HIS  30   5.634  -3.391   2.542
    5    HD1  HIS  30           HD1      HIS  30   7.266  -2.424   4.129
    6    HD2  HIS  30           HD2      HIS  30   9.137  -4.539   1.080
    7    HE1  HIS  30           HE1      HIS  30   9.716  -2.396   4.697
    8    HE2  HIS  30           HE2      HIS  30  10.837  -3.607   2.793

  No H/Q in entry =           8
  In of MODEL   20
    1    H    TYR  31           H        TYR  31   4.401  -7.018   1.975
    2    HA   TYR  31           HA       TYR  31   2.422  -6.381   0.007
    3    HB2  TYR  31           HB2      TYR  31   2.628  -8.387   2.230
    4    HB3  TYR  31           HB3      TYR  31   1.089  -8.131   1.414
    5    HD1  TYR  31           HD1      TYR  31   1.188  -8.248  -1.212
    6    HD2  TYR  31           HD2      TYR  31   4.098  -9.958   1.378
    7    HE1  TYR  31           HE1      TYR  31   1.886  -9.772  -3.012
    8    HE2  TYR  31           HE2      TYR  31   4.804 -11.486  -0.414
    9    HH   TYR  31           HH       TYR  31   3.696 -12.484  -2.527

  No H/Q in entry =           9
  In of MODEL   20
    1    H    CYS  32           H        CYS  32   0.161  -5.912   0.507
    2    HA   CYS  32           HA       CYS  32  -0.026  -3.960   2.680
    3    HB2  CYS  32           HB2      CYS  32  -1.454  -4.348   0.083
    4    HB3  CYS  32           HB3      CYS  32  -2.278  -3.497   1.384

  No H/Q in entry =           4
  In of MODEL   20
    1    H    THR  33           H        THR  33  -1.898  -3.892   4.034
    2    HA   THR  33           HA       THR  33  -3.072  -6.556   4.463
    3    HB   THR  33           HB       THR  33  -1.840  -5.904   6.385
    4    HG1  THR  33           HG1      THR  33  -4.516  -5.165   6.946
    5   HG21  THR  33          HG21      THR  33  -2.780  -3.230   5.747
    6   HG23  THR  33          HG22      THR  33  -1.355  -3.752   6.645
    7   HG22  THR  33          HG23      THR  33  -2.914  -3.629   7.460

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY  34           H        GLY  34  -3.926  -4.067   2.766
    2    HA3  GLY  34           HA2      GLY  34  -5.884  -2.992   2.219
    3    HA2  GLY  34           HA3      GLY  34  -6.642  -4.494   2.726

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ARG  35           H        ARG  35  -4.837  -2.561   4.989
    2    HA   ARG  35           HA       ARG  35  -7.353  -1.945   6.377
    3    HB2  ARG  35           HB2      ARG  35  -5.423  -3.307   7.457
    4    HB3  ARG  35           HB3      ARG  35  -4.632  -1.747   7.631
    5    HG2  ARG  35           HG2      ARG  35  -6.031  -1.063   9.265
    6    HG3  ARG  35           HG3      ARG  35  -7.419  -1.915   8.586
    7    HD2  ARG  35           HD2      ARG  35  -5.855  -4.000   9.305
    8    HD3  ARG  35           HD3      ARG  35  -5.402  -2.818  10.533
    9    HE   ARG  35           HE       ARG  35  -7.818  -4.280  10.413
   10   HH11  ARG  35          HH11      ARG  35  -6.580  -1.114  11.201
   11   HH12  ARG  35          HH12      ARG  35  -7.852  -0.758  12.321
   12   HH21  ARG  35          HH21      ARG  35  -9.492  -3.813  11.885
   13   HH22  ARG  35          HH22      ARG  35  -9.505  -2.290  12.710

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  36           H        SER  36  -4.449  -0.540   5.040
    2    HA   SER  36           HA       SER  36  -5.662   2.094   5.186
    3    HB2  SER  36           HB2      SER  36  -4.054   1.510   7.245
    4    HB3  SER  36           HB3      SER  36  -2.826   2.013   6.084
    5    HG   SER  36           HG       SER  36  -3.427   3.999   6.370

  No H/Q in entry =           5
  In of MODEL   20
    1    H    CYS  37           H        CYS  37  -4.142   3.738   4.067
    2    HA   CYS  37           HA       CYS  37  -3.244   2.480   1.588
    3    HB2  CYS  37           HB2      CYS  37  -4.200   5.190   2.350
    4    HB3  CYS  37           HB3      CYS  37  -3.051   5.085   1.021

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLU  38           H        GLU  38  -1.783   2.928   4.357
    2    HA   GLU  38           HA       GLU  38   0.710   3.950   3.164
    3    HB2  GLU  38           HB2      GLU  38  -0.491   5.147   5.194
    4    HB3  GLU  38           HB3      GLU  38   0.314   3.890   6.123
    5    HG2  GLU  38           HG2      GLU  38   2.047   5.262   4.209
    6    HG3  GLU  38           HG3      GLU  38   1.392   6.299   5.476

  No H/Q in entry =           6
  In of MODEL   20
    1    H    CYS  39           H        CYS  39   2.101   2.373   2.755
    2    HA   CYS  39           HA       CYS  39   1.890  -0.255   3.677
    3    HB2  CYS  39           HB2      CYS  39   3.430   1.061   1.808
    4    HB3  CYS  39           HB3      CYS  39   4.622   0.558   3.001

  No H/Q in entry =           4
  In of MODEL   20
    1    HA   PRO  40           HA       PRO  40   3.454  -0.352   7.796
    2    HB2  PRO  40           HB2      PRO  40   5.082  -2.678   6.893
    3    HB3  PRO  40           HB3      PRO  40   3.963  -2.548   8.254
    4    HG2  PRO  40           HG2      PRO  40   3.265  -3.859   6.046
    5    HG3  PRO  40           HG3      PRO  40   2.092  -2.853   6.917
    6    HD2  PRO  40           HD2      PRO  40   3.554  -2.293   4.375
    7    HD3  PRO  40           HD3      PRO  40   1.898  -1.860   4.845

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  41           H        SER  41   5.640  -0.649   8.977
    2    HA   SER  41           HA       SER  41   7.657   0.889   7.491
    3    HB2  SER  41           HB2      SER  41   7.055   0.684  10.442
    4    HB3  SER  41           HB3      SER  41   8.531   1.424   9.824
    5    HG   SER  41           HG       SER  41   7.242   2.921   8.708

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  42           H        TYR  42   7.355  -1.996   7.296
    2    HA   TYR  42           HA       TYR  42  10.093  -2.719   7.752
    3    HB2  TYR  42           HB2      TYR  42   9.424  -4.801   9.084
    4    HB3  TYR  42           HB3      TYR  42   9.439  -3.268   9.949
    5    HD1  TYR  42           HD1      TYR  42   7.049  -5.347   7.958
    6    HD2  TYR  42           HD2      TYR  42   7.651  -2.831  11.335
    7    HE1  TYR  42           HE1      TYR  42   4.717  -5.720   8.644
    8    HE2  TYR  42           HE2      TYR  42   5.322  -3.197  12.031
    9    HH   TYR  42           HH       TYR  42   3.355  -5.618  10.672

  No H/Q in entry =           9
  In of MODEL   20
    1    HA   PRO  43           HA       PRO  43   9.288  -5.320   4.290
    2    HB2  PRO  43           HB2      PRO  43  11.014  -7.378   4.689
    3    HB3  PRO  43           HB3      PRO  43  11.542  -5.763   4.201
    4    HG2  PRO  43           HG2      PRO  43  11.534  -7.011   6.923
    5    HG3  PRO  43           HG3      PRO  43  12.790  -6.029   6.146
    6    HD2  PRO  43           HD2      PRO  43  11.068  -5.012   7.969
    7    HD3  PRO  43           HD3      PRO  43  11.714  -4.047   6.626

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY  44           H        GLY  44   8.559  -7.480   3.613
    2    HA3  GLY  44           HA2      GLY  44   6.475  -8.444   5.254
    3    HA2  GLY  44           HA3      GLY  44   7.062  -9.211   3.786

  No H/Q in entry =           3
  In of MODEL   21
    1    H1   ALA   1           H2       ALA   1 -13.245  18.900   3.469
    2    H2   ALA   1           H1       ALA   1 -11.960  20.012   3.711
    3    H3   ALA   1           H3       ALA   1 -12.025  19.078   2.275
    4    HA   ALA   1           HA       ALA   1 -10.397  18.214   3.737
    5    HB1  ALA   1           HB1      ALA   1 -10.921  18.781   5.886
    6    HB2  ALA   1           HB2      ALA   1 -11.474  17.106   5.876
    7    HB3  ALA   1           HB3      ALA   1 -12.635  18.419   5.683

  No H/Q in entry =           7
  In of MODEL   21
    1    H    MET   2           H        MET   2 -10.675  16.931   1.804
    2    HA   MET   2           HA       MET   2 -12.628  14.843   1.711
    3    HB2  MET   2           HB2      MET   2 -10.213  15.541   0.067
    4    HB3  MET   2           HB3      MET   2 -11.052  14.016  -0.179
    5    HG2  MET   2           HG2      MET   2 -11.834  15.657  -1.757
    6    HG3  MET   2           HG3      MET   2 -13.125  15.240  -0.632
    7    HE1  MET   2           HE1      MET   2 -14.589  16.697  -0.704
    8    HE3  MET   2           HE2      MET   2 -14.373  18.353  -1.270
    9    HE2  MET   2           HE3      MET   2 -14.554  18.027   0.454

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP   3           H        ASP   3 -11.953  12.522   1.438
    2    HA   ASP   3           HA       ASP   3  -9.667  11.810   3.134
    3    HB2  ASP   3           HB2      ASP   3 -11.124   9.997   4.151
    4    HB3  ASP   3           HB3      ASP   3 -11.486  11.644   4.658

  No H/Q in entry =           4
  In of MODEL   21
    1    H    CYS   4           H        CYS   4  -8.691  11.341   1.062
    2    HA   CYS   4           HA       CYS   4  -9.747   8.942  -0.264
    3    HB2  CYS   4           HB2      CYS   4  -7.970  11.183  -1.167
    4    HB3  CYS   4           HB3      CYS   4  -7.905   9.629  -1.991

  No H/Q in entry =           4
  In of MODEL   21
    1    H    THR   5           H        THR   5  -7.046  10.191   1.539
    2    HA   THR   5           HA       THR   5  -5.222   9.196   2.462
    3    HB   THR   5           HB       THR   5  -6.138   6.448   1.814
    4    HG1  THR   5           HG1      THR   5  -8.086   6.831   2.449
    5   HG23  THR   5          HG21      THR   5  -4.328   6.682   3.362
    6   HG22  THR   5          HG22      THR   5  -5.755   6.115   4.230
    7   HG21  THR   5          HG23      THR   5  -5.263   7.805   4.350

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR   6           H        THR   6  -4.433  10.122   0.267
    2    HA   THR   6           HA       THR   6  -3.752   8.377  -1.836
    3    HB   THR   6           HB       THR   6  -1.882  10.286  -2.101
    4    HG1  THR   6           HG1      THR   6  -2.406  12.106  -1.063
    5   HG21  THR   6          HG21      THR   6  -4.206   9.798  -3.342
    6   HG23  THR   6          HG22      THR   6  -3.198  11.208  -3.667
    7   HG22  THR   6          HG23      THR   6  -4.583  11.344  -2.583

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY   7           H        GLY   7  -1.984   7.137  -2.243
    2    HA3  GLY   7           HA2      GLY   7   0.523   7.264  -1.108
    3    HA2  GLY   7           HA3      GLY   7  -0.426   6.273  -0.010

  No H/Q in entry =           3
  In of MODEL   21
    1    HA   PRO   8           HA       PRO   8   1.380   3.568  -3.374
    2    HB2  PRO   8           HB2      PRO   8   2.429   1.703  -1.701
    3    HB3  PRO   8           HB3      PRO   8   3.310   3.153  -2.198
    4    HG2  PRO   8           HG2      PRO   8   1.806   2.627   0.336
    5    HG3  PRO   8           HG3      PRO   8   3.385   3.403   0.113
    6    HD2  PRO   8           HD2      PRO   8   1.116   4.819   0.521
    7    HD3  PRO   8           HD3      PRO   8   2.447   5.424  -0.485

  No H/Q in entry =           7
  In of MODEL   21
    1    H    CYS   9           H        CYS   9  -0.495   2.945  -0.475
    2    HA   CYS   9           HA       CYS   9  -1.629   0.520  -1.664
    3    HB2  CYS   9           HB2      CYS   9  -1.659   1.674   1.115
    4    HB3  CYS   9           HB3      CYS   9  -2.785   0.406   0.643

  No H/Q in entry =           4
  In of MODEL   21
    1    H    CYS  10           H        CYS  10  -2.254   3.104  -2.769
    2    HA   CYS  10           HA       CYS  10  -5.151   2.951  -2.570
    3    HB2  CYS  10           HB2      CYS  10  -3.711   4.943  -1.190
    4    HB3  CYS  10           HB3      CYS  10  -4.421   5.738  -2.588

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ARG  11           H        ARG  11  -6.216   4.296  -4.263
    2    HA   ARG  11           HA       ARG  11  -4.829   5.460  -6.398
    3    HB2  ARG  11           HB2      ARG  11  -5.052   3.734  -8.122
    4    HB3  ARG  11           HB3      ARG  11  -4.000   3.196  -6.820
    5    HG2  ARG  11           HG2      ARG  11  -5.870   1.909  -5.871
    6    HG3  ARG  11           HG3      ARG  11  -6.878   2.409  -7.231
    7    HD2  ARG  11           HD2      ARG  11  -4.269   1.178  -7.885
    8    HD3  ARG  11           HD3      ARG  11  -5.494   0.115  -7.195
    9    HE   ARG  11           HE       ARG  11  -6.470   1.727  -9.360
   10   HH11  ARG  11          HH11      ARG  11  -4.821  -1.234  -8.529
   11   HH12  ARG  11          HH12      ARG  11  -5.267  -2.041  -9.995
   12   HH21  ARG  11          HH21      ARG  11  -7.058   0.667 -11.289
   13   HH22  ARG  11          HH22      ARG  11  -6.537  -0.962 -11.562

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  12           H        GLN  12  -6.252   6.712  -7.429
    2    HA   GLN  12           HA       GLN  12  -8.215   7.592  -8.182
    3    HB2  GLN  12           HB2      GLN  12  -8.650   4.671  -8.349
    4    HB3  GLN  12           HB3      GLN  12 -10.089   5.677  -8.415
    5    HG2  GLN  12           HG2      GLN  12  -9.275   6.835 -10.339
    6    HG3  GLN  12           HG3      GLN  12  -7.704   6.046 -10.209
    7   HE21  GLN  12          HE21      GLN  12 -11.141   5.388 -10.694
    8   HE22  GLN  12          HE22      GLN  12 -10.916   4.008 -11.709

  No H/Q in entry =           8
  In of MODEL   21
    1    H    CYS  13           H        CYS  13  -7.689   6.858  -5.224
    2    HA   CYS  13           HA       CYS  13  -8.679   7.485  -3.265
    3    HB2  CYS  13           HB2      CYS  13  -9.943   9.150  -4.748
    4    HB3  CYS  13           HB3      CYS  13 -11.261   7.983  -4.740

  No H/Q in entry =           4
  In of MODEL   21
    1    H    LYS  14           H        LYS  14  -8.543   4.827  -4.132
    2    HA   LYS  14           HA       LYS  14 -10.728   3.695  -2.568
    3    HB2  LYS  14           HB2      LYS  14 -10.947   3.624  -5.268
    4    HB3  LYS  14           HB3      LYS  14 -10.042   2.142  -4.990
    5    HG2  LYS  14           HG2      LYS  14 -11.949   1.856  -3.128
    6    HG3  LYS  14           HG3      LYS  14 -12.830   2.821  -4.314
    7    HD2  LYS  14           HD2      LYS  14 -12.880   1.147  -5.830
    8    HD3  LYS  14           HD3      LYS  14 -11.261   0.582  -5.411
    9    HE2  LYS  14           HE2      LYS  14 -12.809  -1.128  -4.799
   10    HE3  LYS  14           HE3      LYS  14 -12.223  -0.377  -3.315
   11    HZ1  LYS  14           HZ1      LYS  14 -14.373   1.096  -3.756
   12    HZ3  LYS  14           HZ2      LYS  14 -14.420  -0.341  -2.865
   13    HZ2  LYS  14           HZ3      LYS  14 -14.886  -0.340  -4.490

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  15           H        LEU  15  -9.891   2.394  -1.081
    2    HA   LEU  15           HA       LEU  15  -7.239   1.820  -0.729
    3    HB2  LEU  15           HB2      LEU  15  -9.758   0.605   0.252
    4    HB3  LEU  15           HB3      LEU  15  -8.290  -0.324   0.484
    5    HG   LEU  15           HG       LEU  15  -8.193   2.515   1.323
    6   HD13  LEU  15          HD11      LEU  15 -10.334   2.069   2.199
    7   HD12  LEU  15          HD12      LEU  15  -9.212   1.826   3.538
    8   HD11  LEU  15          HD13      LEU  15  -9.882   0.435   2.685
    9   HD23  LEU  15          HD21      LEU  15  -7.100   1.238   3.312
   10   HD22  LEU  15          HD22      LEU  15  -6.235   1.388   1.783
   11   HD21  LEU  15          HD23      LEU  15  -7.067  -0.115   2.181

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  16           H        LYS  16  -5.852   0.785  -1.981
    2    HA   LYS  16           HA       LYS  16  -6.460  -0.825  -4.145
    3    HB2  LYS  16           HB2      LYS  16  -4.036  -0.276  -2.542
    4    HB3  LYS  16           HB3      LYS  16  -4.001  -1.755  -3.493
    5    HG2  LYS  16           HG2      LYS  16  -4.384  -0.532  -5.519
    6    HG3  LYS  16           HG3      LYS  16  -4.631   0.965  -4.617
    7    HD2  LYS  16           HD2      LYS  16  -2.366   1.103  -4.013
    8    HD3  LYS  16           HD3      LYS  16  -2.063  -0.582  -4.439
    9    HE2  LYS  16           HE2      LYS  16  -2.189  -0.120  -6.752
   10    HE3  LYS  16           HE3      LYS  16  -2.888   1.474  -6.471
   11    HZ2  LYS  16           HZ1      LYS  16  -0.418   1.306  -7.072
   12    HZ1  LYS  16           HZ2      LYS  16  -0.192   0.815  -5.470
   13    HZ3  LYS  16           HZ3      LYS  16  -0.860   2.333  -5.802

  No H/Q in entry =          13
  In of MODEL   21
    1    HA   PRO  17           HA       PRO  17  -7.412  -4.878  -2.715
    2    HB2  PRO  17           HB2      PRO  17  -5.779  -6.500  -4.195
    3    HB3  PRO  17           HB3      PRO  17  -7.233  -5.725  -4.833
    4    HG2  PRO  17           HG2      PRO  17  -4.372  -4.890  -5.092
    5    HG3  PRO  17           HG3      PRO  17  -5.655  -4.885  -6.316
    6    HD2  PRO  17           HD2      PRO  17  -4.893  -2.640  -5.039
    7    HD3  PRO  17           HD3      PRO  17  -6.579  -2.920  -5.521

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  18           H        ALA  18  -6.875  -6.186  -1.055
    2    HA   ALA  18           HA       ALA  18  -4.608  -5.707   0.504
    3    HB3  ALA  18           HB1      ALA  18  -5.460  -7.237   1.971
    4    HB2  ALA  18           HB2      ALA  18  -5.953  -8.351   0.696
    5    HB1  ALA  18           HB3      ALA  18  -6.906  -6.903   1.018

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  19           H        GLY  19  -2.559  -6.296   0.264
    2    HA3  GLY  19           HA2      GLY  19  -0.900  -8.016   0.013
    3    HA2  GLY  19           HA3      GLY  19  -1.966  -8.821  -1.128

  No H/Q in entry =           3
  In of MODEL   21
    1    H    THR  20           H        THR  20  -1.585  -5.394  -1.369
    2    HA   THR  20           HA       THR  20  -0.276  -5.738  -3.947
    3    HB   THR  20           HB       THR  20  -1.391  -3.252  -2.632
    4    HG1  THR  20           HG1      THR  20  -2.473  -5.085  -4.489
    5   HG22  THR  20          HG21      THR  20  -1.454  -2.404  -4.995
    6   HG21  THR  20          HG22      THR  20  -0.379  -3.738  -5.415
    7   HG23  THR  20          HG23      THR  20   0.146  -2.513  -4.259

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR  21           H        THR  21   1.849  -5.583  -4.155
    2    HA   THR  21           HA       THR  21   3.554  -4.838  -2.027
    3    HB   THR  21           HB       THR  21   4.983  -4.667  -4.480
    4    HG1  THR  21           HG1      THR  21   3.287  -6.932  -4.404
    5   HG21  THR  21          HG21      THR  21   4.735  -6.796  -2.386
    6   HG23  THR  21          HG22      THR  21   6.043  -5.639  -2.631
    7   HG22  THR  21          HG23      THR  21   5.799  -6.952  -3.783

  No H/Q in entry =           7
  In of MODEL   21
    1    H    CYS  22           H        CYS  22   4.539  -2.962  -1.524
    2    HA   CYS  22           HA       CYS  22   3.852  -0.620  -3.164
    3    HB2  CYS  22           HB2      CYS  22   4.222   0.712  -1.131
    4    HB3  CYS  22           HB3      CYS  22   3.006  -0.534  -0.869

  No H/Q in entry =           4
  In of MODEL   21
    1    H    TRP  23           H        TRP  23   6.483  -2.380  -1.683
    2    HA   TRP  23           HA       TRP  23   8.375  -1.003  -3.388
    3    HB2  TRP  23           HB2      TRP  23   8.090   0.197  -1.050
    4    HB3  TRP  23           HB3      TRP  23   9.135  -1.108  -0.499
    5    HD1  TRP  23           HD1      TRP  23   9.171   1.640  -3.243
    6    HE1  TRP  23           HE1      TRP  23  11.605   2.420  -3.545
    7    HE3  TRP  23           HE3      TRP  23  11.461  -1.566   0.015
    8    HZ2  TRP  23           HZ2      TRP  23  14.158   1.763  -2.536
    9    HZ3  TRP  23           HZ3      TRP  23  13.903  -1.425   0.288
   10    HH2  TRP  23           HH2      TRP  23  15.222   0.205  -0.962

  No H/Q in entry =          10
  In of MODEL   21
    1    H    ARG  24           H        ARG  24   8.332  -3.194  -4.246
    2    HA   ARG  24           HA       ARG  24   9.575  -5.246  -2.587
    3    HB2  ARG  24           HB2      ARG  24   7.630  -5.865  -3.952
    4    HB3  ARG  24           HB3      ARG  24   8.493  -5.387  -5.407
    5    HG2  ARG  24           HG2      ARG  24   9.752  -7.420  -3.650
    6    HG3  ARG  24           HG3      ARG  24   8.361  -7.902  -4.623
    7    HD2  ARG  24           HD2      ARG  24   9.717  -6.660  -6.523
    8    HD3  ARG  24           HD3      ARG  24  11.081  -7.049  -5.475
    9    HE   ARG  24           HE       ARG  24   9.535  -9.358  -5.825
   10   HH11  ARG  24          HH11      ARG  24  11.611  -7.245  -7.669
   11   HH12  ARG  24          HH12      ARG  24  12.112  -8.488  -8.766
   12   HH21  ARG  24          HH21      ARG  24  10.192 -10.995  -7.266
   13   HH22  ARG  24          HH22      ARG  24  11.306 -10.617  -8.538

  No H/Q in entry =          13
  In of MODEL   21
    1    H    THR  25           H        THR  25  11.528  -6.239  -3.071
    2    HA   THR  25           HA       THR  25  13.124  -5.136  -5.259
    3    HB   THR  25           HB       THR  25  15.021  -5.249  -3.317
    4    HG1  THR  25           HG1      THR  25  13.225  -5.580  -1.785
    5   HG22  THR  25          HG21      THR  25  13.397  -2.755  -3.591
    6   HG21  THR  25          HG22      THR  25  14.395  -3.350  -4.918
    7   HG23  THR  25          HG23      THR  25  15.138  -2.936  -3.373

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  26           H        SER  26  15.474  -6.325  -4.938
    2    HA   SER  26           HA       SER  26  14.901  -9.066  -5.496
    3    HB2  SER  26           HB2      SER  26  17.706  -8.195  -5.006
    4    HB3  SER  26           HB3      SER  26  17.045  -9.188  -6.305
    5    HG   SER  26           HG       SER  26  16.953  -7.456  -7.470

  No H/Q in entry =           5
  In of MODEL   21
    1    H    VAL  27           H        VAL  27  16.081  -7.297  -2.728
    2    HA   VAL  27           HA       VAL  27  16.524  -9.823  -1.287
    3    HB   VAL  27           HB       VAL  27  17.352  -7.058  -0.403
    4   HG12  VAL  27          HG11      VAL  27  19.029  -8.676   0.859
    5   HG11  VAL  27          HG12      VAL  27  17.691  -9.808   0.664
    6   HG13  VAL  27          HG13      VAL  27  17.440  -8.284   1.516
    7   HG22  VAL  27          HG21      VAL  27  19.607  -7.641  -1.152
    8   HG21  VAL  27          HG22      VAL  27  18.469  -7.622  -2.500
    9   HG23  VAL  27          HG23      VAL  27  18.998  -9.158  -1.813

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  28           H        SER  28  14.691  -6.839  -1.282
    2    HA   SER  28           HA       SER  28  13.270  -7.719   1.137
    3    HB2  SER  28           HB2      SER  28  14.363  -5.280   0.639
    4    HB3  SER  28           HB3      SER  28  12.714  -5.020   0.071
    5    HG   SER  28           HG       SER  28  11.964  -5.662   2.102

  No H/Q in entry =           5
  In of MODEL   21
    1    H    SER  29           H        SER  29  10.892  -7.050   1.145
    2    HA   SER  29           HA       SER  29   9.457  -6.769  -1.260
    3    HB2  SER  29           HB2      SER  29  10.423  -9.256  -1.214
    4    HB3  SER  29           HB3      SER  29   8.994  -9.522  -0.216
    5    HG   SER  29           HG       SER  29   7.862  -9.487  -1.972

  No H/Q in entry =           5
  In of MODEL   21
    1    H    HIS  30           H        HIS  30   8.160  -5.354  -0.192
    2    HA   HIS  30           HA       HIS  30   6.751  -6.298   2.203
    3    HB2  HIS  30           HB2      HIS  30   6.810  -3.486   1.101
    4    HB3  HIS  30           HB3      HIS  30   6.275  -3.999   2.698
    5    HD1  HIS  30           HD1      HIS  30   7.922  -3.088   4.302
    6    HD2  HIS  30           HD2      HIS  30   9.762  -4.678   0.933
    7    HE1  HIS  30           HE1      HIS  30  10.392  -2.916   4.741
    8    HE2  HIS  30           HE2      HIS  30  11.485  -3.801   2.651

  No H/Q in entry =           8
  In of MODEL   21
    1    H    TYR  31           H        TYR  31   4.534  -6.366   2.322
    2    HA   TYR  31           HA       TYR  31   3.065  -5.832  -0.175
    3    HB2  TYR  31           HB2      TYR  31   2.980  -8.235   1.623
    4    HB3  TYR  31           HB3      TYR  31   1.565  -7.790   0.674
    5    HD1  TYR  31           HD1      TYR  31   1.839  -7.603  -1.855
    6    HD2  TYR  31           HD2      TYR  31   4.737  -9.446   0.655
    7    HE1  TYR  31           HE1      TYR  31   2.777  -8.770  -3.806
    8    HE2  TYR  31           HE2      TYR  31   5.684 -10.618  -1.289
    9    HH   TYR  31           HH       TYR  31   4.806 -11.366  -3.596

  No H/Q in entry =           9
  In of MODEL   21
    1    H    CYS  32           H        CYS  32   0.804  -5.324   0.087
    2    HA   CYS  32           HA       CYS  32   0.341  -3.761   2.492
    3    HB2  CYS  32           HB2      CYS  32  -0.147  -3.070   0.014
    4    HB3  CYS  32           HB3      CYS  32  -1.631  -3.987   0.246

  No H/Q in entry =           4
  In of MODEL   21
    1    H    THR  33           H        THR  33  -1.870  -3.810   3.476
    2    HA   THR  33           HA       THR  33  -2.751  -6.604   3.759
    3    HB   THR  33           HB       THR  33  -1.939  -5.840   5.845
    4    HG1  THR  33           HG1      THR  33  -4.729  -5.371   5.968
    5   HG23  THR  33          HG21      THR  33  -1.704  -3.566   5.823
    6   HG22  THR  33          HG22      THR  33  -3.107  -3.751   6.875
    7   HG21  THR  33          HG23      THR  33  -3.326  -3.293   5.186

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY  34           H        GLY  34  -3.640  -4.072   2.027
    2    HA3  GLY  34           HA2      GLY  34  -5.612  -3.297   1.146
    3    HA2  GLY  34           HA3      GLY  34  -6.238  -4.895   1.521

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ARG  35           H        ARG  35  -5.072  -2.861   4.082
    2    HA   ARG  35           HA       ARG  35  -7.855  -2.455   4.956
    3    HB2  ARG  35           HB2      ARG  35  -6.255  -3.915   6.346
    4    HB3  ARG  35           HB3      ARG  35  -5.460  -2.407   6.776
    5    HG2  ARG  35           HG2      ARG  35  -7.314  -1.619   7.945
    6    HG3  ARG  35           HG3      ARG  35  -8.405  -2.771   7.171
    7    HD2  ARG  35           HD2      ARG  35  -7.965  -3.420   9.473
    8    HD3  ARG  35           HD3      ARG  35  -7.299  -4.607   8.353
    9    HE   ARG  35           HE       ARG  35  -5.229  -4.147   9.186
   10   HH11  ARG  35          HH11      ARG  35  -7.333  -1.468   9.943
   11   HH12  ARG  35          HH12      ARG  35  -6.148  -0.647  10.902
   12   HH21  ARG  35          HH21      ARG  35  -3.670  -3.069  10.448
   13   HH22  ARG  35          HH22      ARG  35  -4.069  -1.555  11.189

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  36           H        SER  36  -4.700  -0.964   4.587
    2    HA   SER  36           HA       SER  36  -5.978   1.668   4.904
    3    HB2  SER  36           HB2      SER  36  -3.534   0.593   6.215
    4    HB3  SER  36           HB3      SER  36  -3.482   2.271   5.674
    5    HG   SER  36           HG       SER  36  -4.794   2.796   7.230

  No H/Q in entry =           5
  In of MODEL   21
    1    H    CYS  37           H        CYS  37  -4.455   3.429   3.973
    2    HA   CYS  37           HA       CYS  37  -3.482   2.452   1.372
    3    HB2  CYS  37           HB2      CYS  37  -4.799   5.025   2.195
    4    HB3  CYS  37           HB3      CYS  37  -3.833   4.935   0.727

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLU  38           H        GLU  38  -2.041   2.726   4.006
    2    HA   GLU  38           HA       GLU  38   0.196   4.334   2.980
    3    HB2  GLU  38           HB2      GLU  38  -1.155   4.485   5.627
    4    HB3  GLU  38           HB3      GLU  38   0.596   4.649   5.603
    5    HG2  GLU  38           HG2      GLU  38  -1.230   6.307   3.889
    6    HG3  GLU  38           HG3      GLU  38  -0.717   6.788   5.506

  No H/Q in entry =           6
  In of MODEL   21
    1    H    CYS  39           H        CYS  39   1.306   2.527   2.270
    2    HA   CYS  39           HA       CYS  39   1.641   0.109   3.562
    3    HB2  CYS  39           HB2      CYS  39   2.427   0.943   1.207
    4    HB3  CYS  39           HB3      CYS  39   3.927   1.318   2.049

  No H/Q in entry =           4
  In of MODEL   21
    1    HA   PRO  40           HA       PRO  40   3.969   1.682   7.117
    2    HB2  PRO  40           HB2      PRO  40   3.848  -0.617   8.553
    3    HB3  PRO  40           HB3      PRO  40   2.509   0.533   8.470
    4    HG2  PRO  40           HG2      PRO  40   2.913  -2.016   6.951
    5    HG3  PRO  40           HG3      PRO  40   1.442  -1.394   7.722
    6    HD2  PRO  40           HD2      PRO  40   1.885  -1.188   5.062
    7    HD3  PRO  40           HD3      PRO  40   0.979   0.036   5.974

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  41           H        SER  41   5.843   0.651   8.412
    2    HA   SER  41           HA       SER  41   7.754  -0.381   6.459
    3    HB2  SER  41           HB2      SER  41   9.476   0.347   7.959
    4    HB3  SER  41           HB3      SER  41   8.273   1.635   7.894
    5    HG   SER  41           HG       SER  41   7.383   0.644   9.848

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  42           H        TYR  42   5.932  -2.286   7.131
    2    HA   TYR  42           HA       TYR  42   7.392  -4.043   8.993
    3    HB2  TYR  42           HB2      TYR  42   4.483  -4.246   8.191
    4    HB3  TYR  42           HB3      TYR  42   5.308  -5.196   9.423
    5    HD1  TYR  42           HD1      TYR  42   6.778  -3.232  10.957
    6    HD2  TYR  42           HD2      TYR  42   2.891  -2.945   9.252
    7    HE1  TYR  42           HE1      TYR  42   6.161  -1.567  12.658
    8    HE2  TYR  42           HE2      TYR  42   2.264  -1.278  10.947
    9    HH   TYR  42           HH       TYR  42   3.243  -0.793  13.502

  No H/Q in entry =           9
  In of MODEL   21
    1    HA   PRO  43           HA       PRO  43   8.310  -5.817   4.827
    2    HB2  PRO  43           HB2      PRO  43  10.125  -7.328   6.647
    3    HB3  PRO  43           HB3      PRO  43  10.462  -6.597   5.074
    4    HG2  PRO  43           HG2      PRO  43  11.310  -5.439   7.314
    5    HG3  PRO  43           HG3      PRO  43  10.693  -4.468   5.965
    6    HD2  PRO  43           HD2      PRO  43   9.386  -5.164   8.555
    7    HD3  PRO  43           HD3      PRO  43   9.279  -3.671   7.600

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY  44           H        GLY  44   7.227  -7.492   3.997
    2    HA3  GLY  44           HA2      GLY  44   6.263  -9.583   3.818
    3    HA2  GLY  44           HA3      GLY  44   6.963  -9.993   5.376

  No H/Q in entry =           3
  In of MODEL   22
    1    H1   ALA   1           H3       ALA   1 -17.662  14.343   3.929
    2    H2   ALA   1           H2       ALA   1 -17.759  16.027   4.242
    3    H3   ALA   1           H1       ALA   1 -18.129  15.419   2.680
    4    HA   ALA   1           HA       ALA   1 -16.009  16.412   2.652
    5    HB1  ALA   1           HB1      ALA   1 -15.400  16.326   4.948
    6    HB3  ALA   1           HB2      ALA   1 -14.194  15.399   4.056
    7    HB2  ALA   1           HB3      ALA   1 -15.455  14.564   4.962

  No H/Q in entry =           7
  In of MODEL   22
    1    H    MET   2           H        MET   2 -14.243  15.517   1.440
    2    HA   MET   2           HA       MET   2 -14.913  12.897   0.289
    3    HB2  MET   2           HB2      MET   2 -14.635  15.215  -1.028
    4    HB3  MET   2           HB3      MET   2 -12.957  14.689  -1.049
    5    HG2  MET   2           HG2      MET   2 -13.674  12.559  -2.065
    6    HG3  MET   2           HG3      MET   2 -15.326  13.173  -2.119
    7    HE1  MET   2           HE1      MET   2 -16.104  15.023  -3.148
    8    HE3  MET   2           HE2      MET   2 -15.857  15.029  -4.894
    9    HE2  MET   2           HE3      MET   2 -15.129  16.287  -3.896

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP   3           H        ASP   3 -13.849  11.760   2.008
    2    HA   ASP   3           HA       ASP   3 -11.063  12.135   2.522
    3    HB2  ASP   3           HB2      ASP   3 -13.097  10.073   3.312
    4    HB3  ASP   3           HB3      ASP   3 -11.387   9.801   3.635

  No H/Q in entry =           4
  In of MODEL   22
    1    H    CYS   4           H        CYS   4  -9.325  11.113   1.677
    2    HA   CYS   4           HA       CYS   4  -9.638   8.772   0.002
    3    HB2  CYS   4           HB2      CYS   4  -8.761  11.438  -1.104
    4    HB3  CYS   4           HB3      CYS   4  -8.356   9.913  -1.885

  No H/Q in entry =           4
  In of MODEL   22
    1    H    THR   5           H        THR   5  -7.297   8.422  -1.103
    2    HA   THR   5           HA       THR   5  -5.200   9.084   0.824
    3    HB   THR   5           HB       THR   5  -4.475   6.588   0.563
    4    HG1  THR   5           HG1      THR   5  -6.134   5.185   0.202
    5   HG23  THR   5          HG21      THR   5  -5.070   6.355   2.681
    6   HG22  THR   5          HG22      THR   5  -6.786   6.448   2.283
    7   HG21  THR   5          HG23      THR   5  -5.861   7.926   2.547

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR   6           H        THR   6  -3.675  10.023  -0.357
    2    HA   THR   6           HA       THR   6  -3.226   9.103  -3.106
    3    HB   THR   6           HB       THR   6  -1.753  11.277  -3.088
    4    HG1  THR   6           HG1      THR   6  -2.018  12.551  -1.445
    5   HG23  THR   6          HG21      THR   6  -3.369  12.004  -4.400
    6   HG22  THR   6          HG22      THR   6  -4.347  12.396  -2.986
    7   HG21  THR   6          HG23      THR   6  -4.469  10.800  -3.728

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY   7           H        GLY   7  -1.745   7.542  -3.221
    2    HA3  GLY   7           HA2      GLY   7   0.955   7.984  -2.616
    3    HA2  GLY   7           HA3      GLY   7   0.254   7.049  -1.304

  No H/Q in entry =           3
  In of MODEL   22
    1    HA   PRO   8           HA       PRO   8   1.500   3.998  -4.508
    2    HB2  PRO   8           HB2      PRO   8   2.981   2.399  -2.964
    3    HB3  PRO   8           HB3      PRO   8   3.620   3.930  -3.574
    4    HG2  PRO   8           HG2      PRO   8   2.556   3.267  -0.861
    5    HG3  PRO   8           HG3      PRO   8   3.953   4.263  -1.305
    6    HD2  PRO   8           HD2      PRO   8   1.452   5.247  -0.633
    7    HD3  PRO   8           HD3      PRO   8   2.673   6.130  -1.569

  No H/Q in entry =           7
  In of MODEL   22
    1    H    CYS   9           H        CYS   9   0.583   3.236  -1.146
    2    HA   CYS   9           HA       CYS   9  -0.770   0.816  -2.047
    3    HB2  CYS   9           HB2      CYS   9   0.427   1.729   0.430
    4    HB3  CYS   9           HB3      CYS   9  -1.194   1.104   0.704

  No H/Q in entry =           4
  In of MODEL   22
    1    H    CYS  10           H        CYS  10  -2.008   3.024  -3.063
    2    HA   CYS  10           HA       CYS  10  -4.657   2.693  -2.131
    3    HB2  CYS  10           HB2      CYS  10  -5.005   5.129  -1.495
    4    HB3  CYS  10           HB3      CYS  10  -4.146   4.132  -0.326

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ARG  11           H        ARG  11  -5.825   2.793  -3.896
    2    HA   ARG  11           HA       ARG  11  -4.909   3.719  -6.364
    3    HB2  ARG  11           HB2      ARG  11  -7.823   3.492  -5.629
    4    HB3  ARG  11           HB3      ARG  11  -7.078   3.241  -7.201
    5    HG2  ARG  11           HG2      ARG  11  -5.848   1.287  -6.109
    6    HG3  ARG  11           HG3      ARG  11  -7.014   1.457  -4.795
    7    HD2  ARG  11           HD2      ARG  11  -7.732  -0.223  -6.423
    8    HD3  ARG  11           HD3      ARG  11  -8.849   1.139  -6.362
    9    HE   ARG  11           HE       ARG  11  -6.938   1.566  -8.389
   10   HH11  ARG  11          HH11      ARG  11  -9.718  -0.416  -7.664
   11   HH12  ARG  11          HH12      ARG  11 -10.157  -0.627  -9.326
   12   HH21  ARG  11          HH21      ARG  11  -7.515   1.290 -10.575
   13   HH22  ARG  11          HH22      ARG  11  -8.906   0.341 -10.979

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  12           H        GLN  12  -7.058   5.202  -7.418
    2    HA   GLN  12           HA       GLN  12  -6.214   7.808  -7.033
    3    HB2  GLN  12           HB2      GLN  12  -7.846   6.622  -8.799
    4    HB3  GLN  12           HB3      GLN  12  -9.054   7.410  -7.793
    5    HG2  GLN  12           HG2      GLN  12  -8.531   9.458  -8.539
    6    HG3  GLN  12           HG3      GLN  12  -6.802   9.115  -8.583
    7   HE21  GLN  12          HE21      GLN  12  -6.068   7.708 -10.369
    8   HE22  GLN  12          HE22      GLN  12  -6.831   7.887 -11.909

  No H/Q in entry =           8
  In of MODEL   22
    1    H    CYS  13           H        CYS  13  -8.511   5.955  -5.176
    2    HA   CYS  13           HA       CYS  13  -8.545   7.922  -3.114
    3    HB2  CYS  13           HB2      CYS  13 -10.749   7.868  -5.077
    4    HB3  CYS  13           HB3      CYS  13 -11.248   7.893  -3.390

  No H/Q in entry =           4
  In of MODEL   22
    1    H    LYS  14           H        LYS  14  -8.046   5.036  -3.469
    2    HA   LYS  14           HA       LYS  14  -9.527   4.145  -1.166
    3    HB2  LYS  14           HB2      LYS  14 -10.199   3.211  -3.894
    4    HB3  LYS  14           HB3      LYS  14 -10.043   1.958  -2.671
    5    HG2  LYS  14           HG2      LYS  14 -11.888   4.335  -2.581
    6    HG3  LYS  14           HG3      LYS  14 -12.341   2.650  -2.849
    7    HD2  LYS  14           HD2      LYS  14 -11.165   2.262  -0.554
    8    HD3  LYS  14           HD3      LYS  14 -11.423   3.994  -0.341
    9    HE2  LYS  14           HE2      LYS  14 -13.788   3.740  -0.584
   10    HE3  LYS  14           HE3      LYS  14 -13.611   2.053  -1.062
   11    HZ1  LYS  14           HZ1      LYS  14 -12.617   2.936   1.563
   12    HZ3  LYS  14           HZ2      LYS  14 -13.143   1.403   1.079
   13    HZ2  LYS  14           HZ3      LYS  14 -14.269   2.635   1.353

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  15           H        LEU  15  -8.227   2.915   0.048
    2    HA   LEU  15           HA       LEU  15  -5.591   2.449  -0.421
    3    HB2  LEU  15           HB2      LEU  15  -5.606   0.853   1.346
    4    HB3  LEU  15           HB3      LEU  15  -6.785   2.090   1.736
    5    HG   LEU  15           HG       LEU  15  -8.478   0.400   0.647
    6   HD11  LEU  15          HD11      LEU  15  -6.004  -1.148   0.900
    7   HD13  LEU  15          HD12      LEU  15  -7.434  -1.441  -0.089
    8   HD12  LEU  15          HD13      LEU  15  -7.425  -1.916   1.608
    9   HD23  LEU  15          HD21      LEU  15  -7.606  -0.598   3.271
   10   HD22  LEU  15          HD22      LEU  15  -9.173   0.023   2.753
   11   HD21  LEU  15          HD23      LEU  15  -7.879   1.142   3.181

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  16           H        LYS  16  -4.336   0.963  -1.443
    2    HA   LYS  16           HA       LYS  16  -5.379  -0.410  -3.635
    3    HB2  LYS  16           HB2      LYS  16  -2.753  -0.336  -2.241
    4    HB3  LYS  16           HB3      LYS  16  -3.042  -1.682  -3.335
    5    HG2  LYS  16           HG2      LYS  16  -3.831   0.342  -4.904
    6    HG3  LYS  16           HG3      LYS  16  -2.636   1.180  -3.912
    7    HD2  LYS  16           HD2      LYS  16  -0.899  -0.203  -4.624
    8    HD3  LYS  16           HD3      LYS  16  -2.004  -1.461  -5.182
    9    HE2  LYS  16           HE2      LYS  16  -2.736  -0.030  -7.008
   10    HE3  LYS  16           HE3      LYS  16  -1.685   1.265  -6.434
   11    HZ2  LYS  16           HZ1      LYS  16  -0.913  -0.318  -8.330
   12    HZ1  LYS  16           HZ2      LYS  16  -0.510  -1.353  -7.055
   13    HZ3  LYS  16           HZ3      LYS  16   0.186   0.186  -7.146

  No H/Q in entry =          13
  In of MODEL   22
    1    HA   PRO  17           HA       PRO  17  -6.905  -4.345  -2.401
    2    HB2  PRO  17           HB2      PRO  17  -4.738  -5.603  -4.021
    3    HB3  PRO  17           HB3      PRO  17  -6.482  -5.890  -4.057
    4    HG2  PRO  17           HG2      PRO  17  -5.303  -4.458  -5.966
    5    HG3  PRO  17           HG3      PRO  17  -6.899  -4.004  -5.341
    6    HD2  PRO  17           HD2      PRO  17  -4.237  -2.766  -4.825
    7    HD3  PRO  17           HD3      PRO  17  -5.836  -2.003  -4.941

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  18           H        ALA  18  -6.611  -5.670  -0.698
    2    HA   ALA  18           HA       ALA  18  -4.393  -5.416   0.990
    3    HB3  ALA  18           HB1      ALA  18  -5.446  -6.927   2.401
    4    HB2  ALA  18           HB2      ALA  18  -6.162  -7.830   1.065
    5    HB1  ALA  18           HB3      ALA  18  -6.793  -6.240   1.492

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  19           H        GLY  19  -2.394  -5.979   0.351
    2    HA3  GLY  19           HA2      GLY  19  -0.888  -7.920   0.366
    3    HA2  GLY  19           HA3      GLY  19  -2.039  -8.722  -0.690

  No H/Q in entry =           3
  In of MODEL   22
    1    H    THR  20           H        THR  20  -1.206  -5.358  -1.109
    2    HA   THR  20           HA       THR  20   0.060  -6.062  -3.662
    3    HB   THR  20           HB       THR  20  -1.082  -3.420  -2.730
    4    HG1  THR  20           HG1      THR  20  -2.706  -3.926  -4.274
    5   HG22  THR  20          HG21      THR  20  -0.816  -3.761  -5.580
    6   HG21  THR  20          HG22      THR  20   0.747  -3.834  -4.766
    7   HG23  THR  20          HG23      THR  20  -0.297  -2.430  -4.546

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR  21           H        THR  21   2.194  -6.242  -3.468
    2    HA   THR  21           HA       THR  21   3.860  -5.278  -1.528
    3    HB   THR  21           HB       THR  21   4.773  -6.842  -3.016
    4    HG1  THR  21           HG1      THR  21   6.379  -5.411  -2.504
    5   HG23  THR  21          HG21      THR  21   4.268  -6.988  -5.156
    6   HG22  THR  21          HG22      THR  21   5.017  -5.424  -5.479
    7   HG21  THR  21          HG23      THR  21   3.320  -5.509  -5.004

  No H/Q in entry =           7
  In of MODEL   22
    1    H    CYS  22           H        CYS  22   4.263  -3.294  -0.836
    2    HA   CYS  22           HA       CYS  22   3.600  -0.965  -2.324
    3    HB2  CYS  22           HB2      CYS  22   3.578  -1.149   0.183
    4    HB3  CYS  22           HB3      CYS  22   5.338  -1.130   0.145

  No H/Q in entry =           4
  In of MODEL   22
    1    H    TRP  23           H        TRP  23   6.709  -2.391  -1.340
    2    HA   TRP  23           HA       TRP  23   7.957  -1.301  -3.722
    3    HB2  TRP  23           HB2      TRP  23   8.180   0.494  -2.008
    4    HB3  TRP  23           HB3      TRP  23   9.053  -0.639  -0.981
    5    HD1  TRP  23           HD1      TRP  23   9.463   0.489  -4.687
    6    HE1  TRP  23           HE1      TRP  23  11.960   0.967  -5.086
    7    HE3  TRP  23           HE3      TRP  23  11.251  -0.585  -0.019
    8    HZ2  TRP  23           HZ2      TRP  23  14.369   0.897  -3.617
    9    HZ3  TRP  23           HZ3      TRP  23  13.665  -0.354   0.401
   10    HH2  TRP  23           HH2      TRP  23  15.190   0.372  -1.362

  No H/Q in entry =          10
  In of MODEL   22
    1    H    ARG  24           H        ARG  24   8.472  -3.312  -4.452
    2    HA   ARG  24           HA       ARG  24  10.114  -5.008  -2.695
    3    HB2  ARG  24           HB2      ARG  24   9.468  -6.884  -4.128
    4    HB3  ARG  24           HB3      ARG  24   8.053  -6.075  -3.470
    5    HG2  ARG  24           HG2      ARG  24   7.303  -6.144  -5.573
    6    HG3  ARG  24           HG3      ARG  24   8.367  -4.759  -5.825
    7    HD2  ARG  24           HD2      ARG  24   9.220  -6.023  -7.478
    8    HD3  ARG  24           HD3      ARG  24  10.107  -6.802  -6.169
    9    HE   ARG  24           HE       ARG  24   7.806  -8.214  -6.271
   10   HH11  ARG  24          HH11      ARG  24  10.150  -7.310  -8.693
   11   HH12  ARG  24          HH12      ARG  24   9.875  -8.717  -9.664
   12   HH21  ARG  24          HH21      ARG  24   7.443 -10.065  -7.547
   13   HH22  ARG  24          HH22      ARG  24   8.338 -10.281  -9.014

  No H/Q in entry =          13
  In of MODEL   22
    1    H    THR  25           H        THR  25  12.214  -4.755  -3.063
    2    HA   THR  25           HA       THR  25  13.208  -3.846  -5.609
    3    HB   THR  25           HB       THR  25  15.424  -3.956  -4.521
    4    HG1  THR  25           HG1      THR  25  14.021  -4.852  -2.230
    5   HG22  THR  25          HG21      THR  25  14.342  -2.669  -2.288
    6   HG21  THR  25          HG22      THR  25  13.242  -2.339  -3.627
    7   HG23  THR  25          HG23      THR  25  14.953  -1.935  -3.771

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  26           H        SER  26  14.499  -6.500  -3.662
    2    HA   SER  26           HA       SER  26  14.002  -8.477  -5.677
    3    HB2  SER  26           HB2      SER  26  16.787  -7.366  -5.324
    4    HB3  SER  26           HB3      SER  26  16.478  -8.955  -6.023
    5    HG   SER  26           HG       SER  26  16.188  -6.475  -7.128

  No H/Q in entry =           5
  In of MODEL   22
    1    H    VAL  27           H        VAL  27  13.609  -8.041  -2.800
    2    HA   VAL  27           HA       VAL  27  14.091 -10.624  -1.865
    3    HB   VAL  27           HB       VAL  27  16.454  -9.965  -1.812
    4   HG13  VAL  27          HG11      VAL  27  17.242  -8.228  -0.300
    5   HG12  VAL  27          HG12      VAL  27  15.580  -7.848   0.149
    6   HG11  VAL  27          HG13      VAL  27  16.136  -7.557  -1.499
    7   HG22  VAL  27          HG21      VAL  27  16.872 -11.046   0.133
    8   HG21  VAL  27          HG22      VAL  27  15.129 -11.317   0.084
    9   HG23  VAL  27          HG23      VAL  27  15.792 -10.011   1.068

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  28           H        SER  28  13.757  -7.230  -0.994
    2    HA   SER  28           HA       SER  28  12.699  -7.563   1.577
    3    HB2  SER  28           HB2      SER  28  12.752  -5.388  -0.434
    4    HB3  SER  28           HB3      SER  28  11.501  -5.274   0.803
    5    HG   SER  28           HG       SER  28  13.212  -4.308   1.719

  No H/Q in entry =           5
  In of MODEL   22
    1    H    SER  29           H        SER  29  10.700  -6.332  -1.065
    2    HA   SER  29           HA       SER  29   8.533  -6.707  -1.644
    3    HB2  SER  29           HB2      SER  29   9.108  -8.877  -2.363
    4    HB3  SER  29           HB3      SER  29   9.364  -9.449  -0.715
    5    HG   SER  29           HG       SER  29   6.962  -9.017  -2.102

  No H/Q in entry =           5
  In of MODEL   22
    1    H    HIS  30           H        HIS  30   7.186  -5.516  -0.448
    2    HA   HIS  30           HA       HIS  30   6.332  -6.608   2.152
    3    HB2  HIS  30           HB2      HIS  30   6.632  -3.682   1.439
    4    HB3  HIS  30           HB3      HIS  30   6.067  -4.318   2.981
    5    HD1  HIS  30           HD1      HIS  30   7.858  -3.921   4.633
    6    HD2  HIS  30           HD2      HIS  30   9.382  -5.187   0.981
    7    HE1  HIS  30           HE1      HIS  30  10.338  -4.142   4.981
    8    HE2  HIS  30           HE2      HIS  30  11.250  -4.827   2.734

  No H/Q in entry =           8
  In of MODEL   22
    1    H    TYR  31           H        TYR  31   4.488  -7.585   1.377
    2    HA   TYR  31           HA       TYR  31   2.666  -6.421  -0.427
    3    HB2  TYR  31           HB2      TYR  31   2.502  -8.674   1.549
    4    HB3  TYR  31           HB3      TYR  31   1.055  -8.134   0.704
    5    HD1  TYR  31           HD1      TYR  31   3.284 -10.643   0.649
    6    HD2  TYR  31           HD2      TYR  31   1.819  -7.636  -1.979
    7    HE1  TYR  31           HE1      TYR  31   3.898 -12.039  -1.280
    8    HE2  TYR  31           HE2      TYR  31   2.427  -9.024  -3.916
    9    HH   TYR  31           HH       TYR  31   2.905 -12.107  -3.894

  No H/Q in entry =           9
  In of MODEL   22
    1    H    CYS  32           H        CYS  32   0.775  -5.283  -0.134
    2    HA   CYS  32           HA       CYS  32   0.651  -3.576   2.134
    3    HB2  CYS  32           HB2      CYS  32  -0.264  -3.361  -0.391
    4    HB3  CYS  32           HB3      CYS  32  -1.751  -3.839   0.418

  No H/Q in entry =           4
  In of MODEL   22
    1    H    THR  33           H        THR  33  -1.196  -3.324   3.560
    2    HA   THR  33           HA       THR  33  -2.201  -5.928   4.434
    3    HB   THR  33           HB       THR  33  -1.146  -4.722   6.188
    4    HG1  THR  33           HG1      THR  33  -2.957  -4.284   7.587
    5   HG22  THR  33          HG21      THR  33  -2.539  -2.427   6.712
    6   HG21  THR  33          HG22      THR  33  -2.375  -2.394   4.956
    7   HG23  THR  33          HG23      THR  33  -0.940  -2.520   5.975

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY  34           H        GLY  34  -3.241  -3.624   2.380
    2    HA3  GLY  34           HA2      GLY  34  -5.293  -2.956   1.596
    3    HA2  GLY  34           HA3      GLY  34  -5.861  -4.503   2.201

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ARG  35           H        ARG  35  -4.515  -2.071   4.315
    2    HA   ARG  35           HA       ARG  35  -7.217  -1.585   5.385
    3    HB2  ARG  35           HB2      ARG  35  -5.282  -2.880   6.727
    4    HB3  ARG  35           HB3      ARG  35  -4.871  -1.227   7.164
    5    HG2  ARG  35           HG2      ARG  35  -7.495  -1.149   7.649
    6    HG3  ARG  35           HG3      ARG  35  -7.206  -2.869   7.922
    7    HD2  ARG  35           HD2      ARG  35  -5.208  -2.035   9.358
    8    HD3  ARG  35           HD3      ARG  35  -6.081  -0.504   9.369
    9    HE   ARG  35           HE       ARG  35  -7.701  -2.755  10.116
   10   HH11  ARG  35          HH11      ARG  35  -5.462  -0.340  11.269
   11   HH12  ARG  35          HH12      ARG  35  -6.032  -0.411  12.903
   12   HH21  ARG  35          HH21      ARG  35  -8.453  -2.850  12.264
   13   HH22  ARG  35          HH22      ARG  35  -7.730  -1.837  13.468

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  36           H        SER  36  -4.007  -0.218   4.862
    2    HA   SER  36           HA       SER  36  -5.191   2.399   4.456
    3    HB2  SER  36           HB2      SER  36  -3.195   3.261   6.017
    4    HB3  SER  36           HB3      SER  36  -4.798   2.899   6.657
    5    HG   SER  36           HG       SER  36  -3.829   1.499   7.871

  No H/Q in entry =           5
  In of MODEL   22
    1    H    CYS  37           H        CYS  37  -3.676   3.940   3.515
    2    HA   CYS  37           HA       CYS  37  -1.984   2.684   1.592
    3    HB2  CYS  37           HB2      CYS  37  -3.343   4.847   1.317
    4    HB3  CYS  37           HB3      CYS  37  -2.028   5.637   2.180

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLU  38           H        GLU  38  -1.489   4.054   4.723
    2    HA   GLU  38           HA       GLU  38   1.212   4.768   4.557
    3    HB2  GLU  38           HB2      GLU  38  -0.647   4.021   6.759
    4    HB3  GLU  38           HB3      GLU  38   1.075   4.013   7.112
    5    HG2  GLU  38           HG2      GLU  38   0.018   6.401   5.735
    6    HG3  GLU  38           HG3      GLU  38  -0.475   6.163   7.411

  No H/Q in entry =           6
  In of MODEL   22
    1    H    CYS  39           H        CYS  39   2.333   3.234   3.344
    2    HA   CYS  39           HA       CYS  39   2.349   0.478   3.761
    3    HB2  CYS  39           HB2      CYS  39   4.532   2.285   2.708
    4    HB3  CYS  39           HB3      CYS  39   4.570   0.527   2.613

  No H/Q in entry =           4
  In of MODEL   22
    1    HA   PRO  40           HA       PRO  40   4.150   0.491   7.915
    2    HB2  PRO  40           HB2      PRO  40   4.298  -2.408   7.240
    3    HB3  PRO  40           HB3      PRO  40   3.671  -1.621   8.693
    4    HG2  PRO  40           HG2      PRO  40   2.009  -2.624   6.874
    5    HG3  PRO  40           HG3      PRO  40   1.644  -1.094   7.694
    6    HD2  PRO  40           HD2      PRO  40   2.645  -1.570   4.922
    7    HD3  PRO  40           HD3      PRO  40   1.515  -0.338   5.519

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  41           H        SER  41   6.140  -0.709   8.839
    2    HA   SER  41           HA       SER  41   8.331  -0.272   6.968
    3    HB2  SER  41           HB2      SER  41   8.079  -0.403   9.943
    4    HB3  SER  41           HB3      SER  41   9.646  -0.761   9.217
    5    HG   SER  41           HG       SER  41   9.513   1.283   8.164

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  42           H        TYR  42   6.790  -2.841   8.766
    2    HA   TYR  42           HA       TYR  42   8.865  -4.763   8.164
    3    HB2  TYR  42           HB2      TYR  42   7.226  -6.385   9.206
    4    HB3  TYR  42           HB3      TYR  42   7.761  -5.075  10.253
    5    HD1  TYR  42           HD1      TYR  42   6.218  -3.442  11.075
    6    HD2  TYR  42           HD2      TYR  42   4.944  -6.358   8.252
    7    HE1  TYR  42           HE1      TYR  42   3.876  -2.827  11.506
    8    HE2  TYR  42           HE2      TYR  42   2.598  -5.751   8.674
    9    HH   TYR  42           HH       TYR  42   1.477  -4.353  11.149

  No H/Q in entry =           9
  In of MODEL   22
    1    HA   PRO  43           HA       PRO  43   7.265  -6.188   4.310
    2    HB2  PRO  43           HB2      PRO  43   7.994  -8.800   4.363
    3    HB3  PRO  43           HB3      PRO  43   9.153  -7.487   4.133
    4    HG2  PRO  43           HG2      PRO  43   8.491  -9.014   6.621
    5    HG3  PRO  43           HG3      PRO  43  10.078  -8.524   5.998
    6    HD2  PRO  43           HD2      PRO  43   8.809  -7.178   7.976
    7    HD3  PRO  43           HD3      PRO  43   9.869  -6.374   6.801

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY  44           H        GLY  44   6.041  -8.252   3.411
    2    HA3  GLY  44           HA2      GLY  44   4.061  -9.411   3.350
    3    HA2  GLY  44           HA3      GLY  44   4.315  -9.716   5.062

  No H/Q in entry =           3
  In of MODEL   23
    1    H1   ALA   1           H1       ALA   1 -14.346  18.086   1.645
    2    H2   ALA   1           H3       ALA   1 -14.524  17.523   3.254
    3    H3   ALA   1           H2       ALA   1 -14.034  19.142   2.961
    4    HA   ALA   1           HA       ALA   1 -11.984  18.506   2.166
    5    HB1  ALA   1           HB1      ALA   1 -11.803  18.514   4.463
    6    HB2  ALA   1           HB2      ALA   1 -11.232  16.893   4.068
    7    HB3  ALA   1           HB3      ALA   1 -12.876  17.128   4.660

  No H/Q in entry =           7
  In of MODEL   23
    1    H    MET   2           H        MET   2 -11.886  17.467   0.206
    2    HA   MET   2           HA       MET   2 -12.271  14.556   0.189
    3    HB2  MET   2           HB2      MET   2 -13.260  16.354  -1.540
    4    HB3  MET   2           HB3      MET   2 -11.722  16.030  -2.330
    5    HG2  MET   2           HG2      MET   2 -13.212  14.540  -3.315
    6    HG3  MET   2           HG3      MET   2 -12.332  13.566  -2.138
    7    HE3  MET   2           HE1      MET   2 -15.949  12.799  -3.136
    8    HE2  MET   2           HE2      MET   2 -15.324  11.659  -1.945
    9    HE1  MET   2           HE3      MET   2 -14.269  12.271  -3.218

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP   3           H        ASP   3 -10.270  14.146   1.281
    2    HA   ASP   3           HA       ASP   3  -7.796  14.927   0.008
    3    HB2  ASP   3           HB2      ASP   3  -8.493  13.327   2.455
    4    HB3  ASP   3           HB3      ASP   3  -6.849  13.334   1.824

  No H/Q in entry =           4
  In of MODEL   23
    1    H    CYS   4           H        CYS   4  -9.753  12.017   0.347
    2    HA   CYS   4           HA       CYS   4  -9.757  10.039  -0.773
    3    HB2  CYS   4           HB2      CYS   4  -8.453  11.900  -2.676
    4    HB3  CYS   4           HB3      CYS   4  -8.229  10.183  -2.991

  No H/Q in entry =           4
  In of MODEL   23
    1    H    THR   5           H        THR   5  -8.661   8.142  -0.622
    2    HA   THR   5           HA       THR   5  -6.220   8.108   0.815
    3    HB   THR   5           HB       THR   5  -6.315   5.653   0.477
    4    HG1  THR   5           HG1      THR   5  -8.648   6.186  -1.038
    5   HG22  THR   5          HG21      THR   5  -8.615   5.262   1.424
    6   HG21  THR   5          HG22      THR   5  -8.862   7.004   1.301
    7   HG23  THR   5          HG23      THR   5  -7.577   6.366   2.326

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR   6           H        THR   6  -4.961   9.463  -0.675
    2    HA   THR   6           HA       THR   6  -4.083   8.167  -3.133
    3    HB   THR   6           HB       THR   6  -2.842  10.266  -3.529
    4    HG1  THR   6           HG1      THR   6  -4.022  11.170  -1.119
    5   HG23  THR   6          HG21      THR   6  -4.630  11.623  -4.061
    6   HG22  THR   6          HG22      THR   6  -5.570  11.109  -2.660
    7   HG21  THR   6          HG23      THR   6  -5.356  10.016  -4.028

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY   7           H        GLY   7  -2.569   6.651  -2.913
    2    HA3  GLY   7           HA2      GLY   7   0.013   7.264  -1.940
    3    HA2  GLY   7           HA3      GLY   7  -0.855   6.323  -0.735

  No H/Q in entry =           3
  In of MODEL   23
    1    HA   PRO   8           HA       PRO   8   1.197   3.473  -3.859
    2    HB2  PRO   8           HB2      PRO   8   2.650   2.040  -2.072
    3    HB3  PRO   8           HB3      PRO   8   3.250   3.521  -2.827
    4    HG2  PRO   8           HG2      PRO   8   2.039   3.133  -0.117
    5    HG3  PRO   8           HG3      PRO   8   3.454   4.096  -0.582
    6    HD2  PRO   8           HD2      PRO   8   1.020   5.200  -0.145
    7    HD3  PRO   8           HD3      PRO   8   2.167   5.856  -1.331

  No H/Q in entry =           7
  In of MODEL   23
    1    H    CYS   9           H        CYS   9  -0.353   3.019  -0.747
    2    HA   CYS   9           HA       CYS   9  -1.295   0.369  -1.613
    3    HB2  CYS   9           HB2      CYS   9  -0.964   1.579   1.130
    4    HB3  CYS   9           HB3      CYS   9  -1.898   0.113   0.854

  No H/Q in entry =           4
  In of MODEL   23
    1    H    CYS  10           H        CYS  10  -2.436   2.824  -2.579
    2    HA   CYS  10           HA       CYS  10  -5.174   2.256  -2.193
    3    HB2  CYS  10           HB2      CYS  10  -5.738   4.536  -1.167
    4    HB3  CYS  10           HB3      CYS  10  -5.098   3.304  -0.086

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ARG  11           H        ARG  11  -5.914   2.620  -4.164
    2    HA   ARG  11           HA       ARG  11  -5.184   5.128  -5.511
    3    HB2  ARG  11           HB2      ARG  11  -3.961   3.000  -6.351
    4    HB3  ARG  11           HB3      ARG  11  -5.513   2.573  -7.057
    5    HG2  ARG  11           HG2      ARG  11  -5.506   4.510  -8.440
    6    HG3  ARG  11           HG3      ARG  11  -4.102   5.173  -7.601
    7    HD2  ARG  11           HD2      ARG  11  -3.816   2.489  -8.827
    8    HD3  ARG  11           HD3      ARG  11  -3.912   3.870  -9.920
    9    HE   ARG  11           HE       ARG  11  -2.027   4.253  -7.798
   10   HH11  ARG  11          HH11      ARG  11  -2.491   2.842 -10.956
   11   HH12  ARG  11          HH12      ARG  11  -0.809   2.895 -11.364
   12   HH21  ARG  11          HH21      ARG  11   0.186   4.323  -8.333
   13   HH22  ARG  11          HH22      ARG  11   0.711   3.735  -9.876

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  12           H        GLN  12  -6.723   5.797  -7.171
    2    HA   GLN  12           HA       GLN  12  -8.821   6.192  -7.974
    3    HB2  GLN  12           HB2      GLN  12  -8.650   3.532  -8.086
    4    HB3  GLN  12           HB3      GLN  12  -9.919   3.661  -6.877
    5    HG2  GLN  12           HG2      GLN  12 -11.096   5.208  -8.530
    6    HG3  GLN  12           HG3      GLN  12  -9.944   4.604  -9.721
    7   HE21  GLN  12          HE21      GLN  12 -12.975   4.268  -8.844
    8   HE22  GLN  12          HE22      GLN  12 -13.237   2.587  -9.146

  No H/Q in entry =           8
  In of MODEL   23
    1    H    CYS  13           H        CYS  13  -7.983   6.350  -4.962
    2    HA   CYS  13           HA       CYS  13  -8.875   7.428  -3.159
    3    HB2  CYS  13           HB2      CYS  13 -10.339   8.567  -4.939
    4    HB3  CYS  13           HB3      CYS  13 -11.582   7.406  -4.484

  No H/Q in entry =           4
  In of MODEL   23
    1    H    LYS  14           H        LYS  14  -8.653   4.632  -3.318
    2    HA   LYS  14           HA       LYS  14 -10.463   3.888  -1.202
    3    HB2  LYS  14           HB2      LYS  14 -10.830   2.927  -3.967
    4    HB3  LYS  14           HB3      LYS  14 -10.833   1.670  -2.737
    5    HG2  LYS  14           HG2      LYS  14 -12.485   4.036  -2.152
    6    HG3  LYS  14           HG3      LYS  14 -13.020   3.029  -3.499
    7    HD2  LYS  14           HD2      LYS  14 -13.008   1.066  -2.053
    8    HD3  LYS  14           HD3      LYS  14 -12.427   2.048  -0.707
    9    HE2  LYS  14           HE2      LYS  14 -14.565   3.474  -1.238
   10    HE3  LYS  14           HE3      LYS  14 -15.119   1.977  -1.988
   11    HZ1  LYS  14           HZ1      LYS  14 -14.241   1.056   0.342
   12    HZ3  LYS  14           HZ2      LYS  14 -15.834   1.566   0.092
   13    HZ2  LYS  14           HZ3      LYS  14 -14.718   2.608   0.819

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  15           H        LEU  15  -9.620   2.316   0.101
    2    HA   LEU  15           HA       LEU  15  -6.889   1.829   0.084
    3    HB2  LEU  15           HB2      LEU  15  -9.079   1.187   1.727
    4    HB3  LEU  15           HB3      LEU  15  -8.289  -0.337   1.373
    5    HG   LEU  15           HG       LEU  15  -7.411   0.564   3.430
    6   HD13  LEU  15          HD11      LEU  15  -5.656  -0.553   2.548
    7   HD12  LEU  15          HD12      LEU  15  -4.962   1.067   2.477
    8   HD11  LEU  15          HD13      LEU  15  -5.692   0.356   1.037
    9   HD23  LEU  15          HD21      LEU  15  -6.135   2.904   2.179
   10   HD22  LEU  15          HD22      LEU  15  -6.831   2.712   3.787
   11   HD21  LEU  15          HD23      LEU  15  -7.881   3.012   2.403

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  16           H        LYS  16  -5.652   0.613  -1.168
    2    HA   LYS  16           HA       LYS  16  -6.578  -1.006  -3.229
    3    HB2  LYS  16           HB2      LYS  16  -4.157  -0.018  -2.540
    4    HB3  LYS  16           HB3      LYS  16  -3.936  -1.705  -2.094
    5    HG2  LYS  16           HG2      LYS  16  -3.966  -2.421  -4.239
    6    HG3  LYS  16           HG3      LYS  16  -5.110  -1.181  -4.754
    7    HD2  LYS  16           HD2      LYS  16  -3.224   0.486  -4.466
    8    HD3  LYS  16           HD3      LYS  16  -2.147  -0.903  -4.302
    9    HE2  LYS  16           HE2      LYS  16  -2.250   0.032  -6.606
   10    HE3  LYS  16           HE3      LYS  16  -2.698  -1.670  -6.502
   11    HZ3  LYS  16           HZ1      LYS  16  -4.962  -1.146  -6.749
   12    HZ2  LYS  16           HZ2      LYS  16  -4.164  -0.219  -7.917
   13    HZ1  LYS  16           HZ3      LYS  16  -4.706   0.507  -6.489

  No H/Q in entry =          13
  In of MODEL   23
    1    HA   PRO  17           HA       PRO  17  -7.858  -4.862  -1.532
    2    HB2  PRO  17           HB2      PRO  17  -6.132  -6.126  -3.605
    3    HB3  PRO  17           HB3      PRO  17  -7.844  -6.387  -3.253
    4    HG2  PRO  17           HG2      PRO  17  -7.096  -4.971  -5.380
    5    HG3  PRO  17           HG3      PRO  17  -8.509  -4.497  -4.419
    6    HD2  PRO  17           HD2      PRO  17  -5.773  -3.307  -4.484
    7    HD3  PRO  17           HD3      PRO  17  -7.347  -2.510  -4.287

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  18           H        ALA  18  -7.154  -6.283  -0.014
    2    HA   ALA  18           HA       ALA  18  -4.606  -5.969   1.129
    3    HB2  ALA  18           HB1      ALA  18  -5.224  -7.700   2.648
    4    HB3  ALA  18           HB2      ALA  18  -6.441  -8.324   1.534
    5    HB1  ALA  18           HB3      ALA  18  -6.673  -6.755   2.306

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  19           H        GLY  19  -2.721  -6.654   0.368
    2    HA3  GLY  19           HA2      GLY  19  -1.446  -8.779  -0.006
    3    HA2  GLY  19           HA3      GLY  19  -2.677  -9.160  -1.198

  No H/Q in entry =           3
  In of MODEL   23
    1    H    THR  20           H        THR  20  -2.153  -5.893  -1.368
    2    HA   THR  20           HA       THR  20  -0.804  -6.101  -3.871
    3    HB   THR  20           HB       THR  20  -1.044  -3.512  -2.390
    4    HG1  THR  20           HG1      THR  20  -3.108  -3.711  -2.231
    5   HG23  THR  20          HG21      THR  20  -0.242  -3.074  -4.491
    6   HG22  THR  20          HG22      THR  20  -1.980  -2.905  -4.734
    7   HG21  THR  20          HG23      THR  20  -1.160  -4.384  -5.234

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR  21           H        THR  21   1.112  -4.537  -4.278
    2    HA   THR  21           HA       THR  21   3.146  -5.135  -2.241
    3    HB   THR  21           HB       THR  21   4.433  -4.315  -4.599
    4    HG1  THR  21           HG1      THR  21   2.364  -6.170  -5.159
    5   HG22  THR  21          HG21      THR  21   5.003  -6.742  -4.816
    6   HG21  THR  21          HG22      THR  21   3.952  -7.036  -3.430
    7   HG23  THR  21          HG23      THR  21   5.377  -6.010  -3.256

  No H/Q in entry =           7
  In of MODEL   23
    1    H    CYS  22           H        CYS  22   4.970  -3.541  -2.135
    2    HA   CYS  22           HA       CYS  22   3.856  -0.824  -2.134
    3    HB2  CYS  22           HB2      CYS  22   5.130  -2.261  -0.125
    4    HB3  CYS  22           HB3      CYS  22   6.374  -1.159  -0.705

  No H/Q in entry =           4
  In of MODEL   23
    1    H    TRP  23           H        TRP  23   7.163  -2.141  -2.298
    2    HA   TRP  23           HA       TRP  23   7.602  -0.613  -4.758
    3    HB2  TRP  23           HB2      TRP  23   8.421   0.774  -2.903
    4    HB3  TRP  23           HB3      TRP  23   9.440  -0.554  -2.358
    5    HD1  TRP  23           HD1      TRP  23   9.136   0.459  -6.055
    6    HE1  TRP  23           HE1      TRP  23  11.438   1.279  -6.863
    7    HE3  TRP  23           HE3      TRP  23  11.631   0.400  -1.593
    8    HZ2  TRP  23           HZ2      TRP  23  13.976   1.827  -5.755
    9    HZ3  TRP  23           HZ3      TRP  23  13.994   1.087  -1.554
   10    HH2  TRP  23           HH2      TRP  23  15.141   1.785  -3.593

  No H/Q in entry =          10
  In of MODEL   23
    1    H    ARG  24           H        ARG  24   9.640  -2.507  -2.557
    2    HA   ARG  24           HA       ARG  24  10.967  -4.325  -2.886
    3    HB2  ARG  24           HB2      ARG  24   8.805  -5.406  -3.383
    4    HB3  ARG  24           HB3      ARG  24   8.978  -4.958  -5.074
    5    HG2  ARG  24           HG2      ARG  24  11.254  -6.272  -4.826
    6    HG3  ARG  24           HG3      ARG  24  10.376  -7.058  -3.512
    7    HD2  ARG  24           HD2      ARG  24   8.513  -7.466  -5.163
    8    HD3  ARG  24           HD3      ARG  24   9.622  -6.929  -6.423
    9    HE   ARG  24           HE       ARG  24  11.017  -8.864  -5.142
   10   HH11  ARG  24          HH11      ARG  24   7.833  -8.746  -6.565
   11   HH12  ARG  24          HH12      ARG  24   7.821 -10.427  -6.982
   12   HH21  ARG  24          HH21      ARG  24  11.003 -11.075  -5.690
   13   HH22  ARG  24          HH22      ARG  24   9.620 -11.749  -6.485

  No H/Q in entry =          13
  In of MODEL   23
    1    H    THR  25           H        THR  25  12.926  -3.766  -3.594
    2    HA   THR  25           HA       THR  25  13.251  -3.033  -6.421
    3    HB   THR  25           HB       THR  25  15.270  -2.647  -4.212
    4    HG1  THR  25           HG1      THR  25  13.348  -1.504  -3.732
    5   HG22  THR  25          HG21      THR  25  15.168  -0.718  -6.384
    6   HG21  THR  25          HG22      THR  25  15.577  -2.350  -6.912
    7   HG23  THR  25          HG23      THR  25  16.545  -1.556  -5.669

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  26           H        SER  26  14.353  -5.230  -3.922
    2    HA   SER  26           HA       SER  26  15.022  -7.275  -5.710
    3    HB2  SER  26           HB2      SER  26  16.947  -5.418  -5.912
    4    HB3  SER  26           HB3      SER  26  17.574  -6.314  -4.529
    5    HG   SER  26           HG       SER  26  18.344  -7.553  -6.057

  No H/Q in entry =           5
  In of MODEL   23
    1    H    VAL  27           H        VAL  27  15.729  -5.787  -2.598
    2    HA   VAL  27           HA       VAL  27  15.729  -8.465  -1.369
    3    HB   VAL  27           HB       VAL  27  16.839  -5.935  -0.154
    4   HG11  VAL  27          HG11      VAL  27  16.892  -8.835   0.624
    5   HG13  VAL  27          HG12      VAL  27  16.346  -7.449   1.568
    6   HG12  VAL  27          HG13      VAL  27  18.066  -7.677   1.251
    7   HG22  VAL  27          HG21      VAL  27  19.018  -6.607  -0.810
    8   HG21  VAL  27          HG22      VAL  27  18.014  -6.676  -2.258
    9   HG23  VAL  27          HG23      VAL  27  18.434  -8.161  -1.405

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  28           H        SER  28  14.367  -5.239  -1.252
    2    HA   SER  28           HA       SER  28  12.876  -5.637   1.149
    3    HB2  SER  28           HB2      SER  28  13.419  -3.382   0.479
    4    HB3  SER  28           HB3      SER  28  12.609  -3.599  -1.072
    5    HG   SER  28           HG       SER  28  10.643  -3.770   0.039

  No H/Q in entry =           5
  In of MODEL   23
    1    H    SER  29           H        SER  29  10.829  -6.351   1.445
    2    HA   SER  29           HA       SER  29   9.188  -6.947  -0.908
    3    HB2  SER  29           HB2      SER  29   9.912  -8.927   1.261
    4    HB3  SER  29           HB3      SER  29   8.609  -9.177   0.100
    5    HG   SER  29           HG       SER  29  10.398 -10.151  -0.746

  No H/Q in entry =           5
  In of MODEL   23
    1    H    HIS  30           H        HIS  30   8.056  -5.048  -0.124
    2    HA   HIS  30           HA       HIS  30   6.506  -5.483   2.331
    3    HB2  HIS  30           HB2      HIS  30   7.070  -2.994   0.717
    4    HB3  HIS  30           HB3      HIS  30   5.906  -3.040   2.037
    5    HD1  HIS  30           HD1      HIS  30   6.919  -1.988   4.022
    6    HD2  HIS  30           HD2      HIS  30   9.684  -4.256   1.907
    7    HE1  HIS  30           HE1      HIS  30   9.055  -1.844   5.340
    8    HE2  HIS  30           HE2      HIS  30  10.690  -3.295   4.087

  No H/Q in entry =           8
  In of MODEL   23
    1    H    TYR  31           H        TYR  31   4.267  -5.390   2.343
    2    HA   TYR  31           HA       TYR  31   2.917  -5.213  -0.256
    3    HB2  TYR  31           HB2      TYR  31   2.679  -7.461   1.742
    4    HB3  TYR  31           HB3      TYR  31   1.460  -7.159   0.508
    5    HD1  TYR  31           HD1      TYR  31   1.644  -8.277  -1.505
    6    HD2  TYR  31           HD2      TYR  31   5.153  -7.649   0.817
    7    HE1  TYR  31           HE1      TYR  31   2.941  -9.607  -3.116
    8    HE2  TYR  31           HE2      TYR  31   6.460  -8.976  -0.788
    9    HH   TYR  31           HH       TYR  31   5.670  -9.595  -3.739

  No H/Q in entry =           9
  In of MODEL   23
    1    H    CYS  32           H        CYS  32   0.597  -4.838  -0.085
    2    HA   CYS  32           HA       CYS  32  -0.001  -3.138   2.210
    3    HB2  CYS  32           HB2      CYS  32  -1.635  -3.508  -0.304
    4    HB3  CYS  32           HB3      CYS  32  -1.775  -2.211   0.878

  No H/Q in entry =           4
  In of MODEL   23
    1    H    THR  33           H        THR  33  -1.528  -3.573   3.701
    2    HA   THR  33           HA       THR  33  -2.779  -6.207   3.595
    3    HB   THR  33           HB       THR  33  -1.662  -5.801   5.646
    4    HG1  THR  33           HG1      THR  33  -4.380  -5.213   6.177
    5   HG22  THR  33          HG21      THR  33  -2.804  -3.750   7.005
    6   HG21  THR  33          HG22      THR  33  -2.708  -3.088   5.373
    7   HG23  THR  33          HG23      THR  33  -1.250  -3.675   6.174

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY  34           H        GLY  34  -3.664  -3.558   2.200
    2    HA3  GLY  34           HA2      GLY  34  -5.645  -2.532   1.663
    3    HA2  GLY  34           HA3      GLY  34  -6.376  -4.082   2.049

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ARG  35           H        ARG  35  -4.655  -2.317   4.496
    2    HA   ARG  35           HA       ARG  35  -7.220  -1.778   5.830
    3    HB2  ARG  35           HB2      ARG  35  -5.263  -3.275   6.818
    4    HB3  ARG  35           HB3      ARG  35  -4.633  -1.710   7.312
    5    HG2  ARG  35           HG2      ARG  35  -5.860  -2.448   9.148
    6    HG3  ARG  35           HG3      ARG  35  -6.935  -1.305   8.340
    7    HD2  ARG  35           HD2      ARG  35  -8.378  -2.932   7.656
    8    HD3  ARG  35           HD3      ARG  35  -7.115  -4.157   7.546
    9    HE   ARG  35           HE       ARG  35  -8.747  -3.550   9.830
   10   HH11  ARG  35          HH11      ARG  35  -5.708  -4.897   8.769
   11   HH12  ARG  35          HH12      ARG  35  -5.505  -5.876  10.183
   12   HH21  ARG  35          HH21      ARG  35  -8.482  -4.836  11.691
   13   HH22  ARG  35          HH22      ARG  35  -7.080  -5.842  11.842

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  36           H        SER  36  -4.142  -0.382   4.893
    2    HA   SER  36           HA       SER  36  -5.259   2.260   4.934
    3    HB2  SER  36           HB2      SER  36  -4.553   1.801   7.345
    4    HB3  SER  36           HB3      SER  36  -2.893   1.804   6.752
    5    HG   SER  36           HG       SER  36  -2.962   3.900   6.603

  No H/Q in entry =           5
  In of MODEL   23
    1    H    CYS  37           H        CYS  37  -3.624   3.904   4.222
    2    HA   CYS  37           HA       CYS  37  -2.206   2.902   1.964
    3    HB2  CYS  37           HB2      CYS  37  -2.178   5.657   3.215
    4    HB3  CYS  37           HB3      CYS  37  -1.517   5.251   1.635

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLU  38           H        GLU  38  -1.334   3.745   5.227
    2    HA   GLU  38           HA       GLU  38   1.438   4.065   4.884
    3    HB2  GLU  38           HB2      GLU  38  -0.219   3.199   7.249
    4    HB3  GLU  38           HB3      GLU  38   1.524   3.406   7.342
    5    HG2  GLU  38           HG2      GLU  38   1.305   5.743   6.740
    6    HG3  GLU  38           HG3      GLU  38  -0.438   5.550   6.560

  No H/Q in entry =           6
  In of MODEL   23
    1    H    CYS  39           H        CYS  39   2.791   2.623   4.060
    2    HA   CYS  39           HA       CYS  39   2.255  -0.114   3.766
    3    HB2  CYS  39           HB2      CYS  39   4.045   1.518   2.650
    4    HB3  CYS  39           HB3      CYS  39   5.088   0.803   3.875

  No H/Q in entry =           4
  In of MODEL   23
    1    HA   PRO  40           HA       PRO  40   2.985  -1.877   7.759
    2    HB2  PRO  40           HB2      PRO  40   4.344  -4.039   6.221
    3    HB3  PRO  40           HB3      PRO  40   3.064  -4.155   7.434
    4    HG2  PRO  40           HG2      PRO  40   2.510  -4.457   4.850
    5    HG3  PRO  40           HG3      PRO  40   1.398  -3.585   5.922
    6    HD2  PRO  40           HD2      PRO  40   3.306  -2.516   3.891
    7    HD3  PRO  40           HD3      PRO  40   1.695  -1.927   4.348

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  41           H        SER  41   4.814  -2.831   9.057
    2    HA   SER  41           HA       SER  41   7.302  -1.431   8.369
    3    HB2  SER  41           HB2      SER  41   7.835  -1.556  10.765
    4    HB3  SER  41           HB3      SER  41   6.269  -0.788  10.508
    5    HG   SER  41           HG       SER  41   5.298  -2.805  11.010

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  42           H        TYR  42   5.966  -4.556   9.201
    2    HA   TYR  42           HA       TYR  42   8.627  -5.777   9.052
    3    HB2  TYR  42           HB2      TYR  42   7.359  -7.850   9.822
    4    HB3  TYR  42           HB3      TYR  42   7.468  -6.524  10.976
    5    HD1  TYR  42           HD1      TYR  42   5.504  -5.292  11.643
    6    HD2  TYR  42           HD2      TYR  42   5.234  -8.377   8.725
    7    HE1  TYR  42           HE1      TYR  42   3.055  -5.284  11.869
    8    HE2  TYR  42           HE2      TYR  42   2.784  -8.377   8.943
    9    HH   TYR  42           HH       TYR  42   1.017  -6.289   9.848

  No H/Q in entry =           9
  In of MODEL   23
    1    HA   PRO  43           HA       PRO  43   7.950  -7.427   5.022
    2    HB2  PRO  43           HB2      PRO  43   9.248  -9.805   5.164
    3    HB3  PRO  43           HB3      PRO  43  10.093  -8.254   5.108
    4    HG2  PRO  43           HG2      PRO  43   9.466  -9.986   7.469
    5    HG3  PRO  43           HG3      PRO  43  10.967  -9.124   7.080
    6    HD2  PRO  43           HD2      PRO  43   9.164  -8.178   8.865
    7    HD3  PRO  43           HD3      PRO  43  10.159  -7.109   7.855

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY  44           H        GLY  44   7.076  -9.331   3.828
    2    HA3  GLY  44           HA2      GLY  44   5.281 -10.992   5.464
    3    HA2  GLY  44           HA3      GLY  44   4.615 -10.050   4.139

  No H/Q in entry =           3
  In of MODEL   24
    1    H1   ALA   1           H3       ALA   1  -8.194  16.740  -2.466
    2    H2   ALA   1           H2       ALA   1  -8.678  15.967  -3.920
    3    H3   ALA   1           H1       ALA   1  -9.779  16.975  -3.074
    4    HA   ALA   1           HA       ALA   1 -10.303  14.706  -2.723
    5    HB3  ALA   1           HB1      ALA   1  -8.546  13.442  -1.275
    6    HB2  ALA   1           HB2      ALA   1  -7.406  14.566  -2.015
    7    HB1  ALA   1           HB3      ALA   1  -8.368  13.492  -3.029

  No H/Q in entry =           7
  In of MODEL   24
    1    H    MET   2           H        MET   2 -11.712  14.771  -1.111
    2    HA   MET   2           HA       MET   2 -11.061  16.353   1.271
    3    HB2  MET   2           HB2      MET   2 -13.688  15.421   0.114
    4    HB3  MET   2           HB3      MET   2 -13.553  16.190   1.690
    5    HG2  MET   2           HG2      MET   2 -13.067  18.242   0.805
    6    HG3  MET   2           HG3      MET   2 -12.387  17.565  -0.674
    7    HE1  MET   2           HE1      MET   2 -13.356  19.233  -2.036
    8    HE3  MET   2           HE2      MET   2 -15.003  19.214  -2.666
    9    HE2  MET   2           HE3      MET   2 -13.908  17.877  -3.020

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP   3           H        ASP   3 -12.024  13.149   0.228
    2    HA   ASP   3           HA       ASP   3 -11.264  12.103   2.839
    3    HB2  ASP   3           HB2      ASP   3 -13.849  12.546   2.592
    4    HB3  ASP   3           HB3      ASP   3 -13.805  11.056   1.654

  No H/Q in entry =           4
  In of MODEL   24
    1    H    CYS   4           H        CYS   4 -10.006  12.018   0.275
    2    HA   CYS   4           HA       CYS   4 -10.329   9.201  -0.498
    3    HB2  CYS   4           HB2      CYS   4  -9.250  11.607  -1.942
    4    HB3  CYS   4           HB3      CYS   4  -8.841   9.979  -2.472

  No H/Q in entry =           4
  In of MODEL   24
    1    H    THR   5           H        THR   5  -8.967   7.865   0.480
    2    HA   THR   5           HA       THR   5  -6.664   8.611   1.877
    3    HB   THR   5           HB       THR   5  -6.119   6.192   1.885
    4    HG1  THR   5           HG1      THR   5  -7.575   4.794   0.793
    5   HG23  THR   5          HG21      THR   5  -8.127   5.353   2.954
    6   HG22  THR   5          HG22      THR   5  -9.050   6.715   2.317
    7   HG21  THR   5          HG23      THR   5  -7.766   6.993   3.494

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR   6           H        THR   6  -5.304   9.885   0.644
    2    HA   THR   6           HA       THR   6  -4.271   8.869  -1.872
    3    HB   THR   6           HB       THR   6  -2.825  11.070  -1.537
    4    HG1  THR   6           HG1      THR   6  -3.507  12.347  -0.019
    5   HG22  THR   6          HG21      THR   6  -5.390  12.129  -2.056
    6   HG21  THR   6          HG22      THR   6  -5.311  10.524  -2.783
    7   HG23  THR   6          HG23      THR   6  -4.106  11.742  -3.201

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY   7           H        GLY   7  -2.625   7.499  -1.921
    2    HA3  GLY   7           HA2      GLY   7  -0.150   7.964  -0.686
    3    HA2  GLY   7           HA3      GLY   7  -1.047   6.826   0.308

  No H/Q in entry =           3
  In of MODEL   24
    1    HA   PRO   8           HA       PRO   8   1.212   4.584  -3.164
    2    HB2  PRO   8           HB2      PRO   8   2.791   3.028  -1.607
    3    HB3  PRO   8           HB3      PRO   8   3.271   4.644  -2.140
    4    HG2  PRO   8           HG2      PRO   8   2.126   3.777   0.488
    5    HG3  PRO   8           HG3      PRO   8   3.462   4.898   0.165
    6    HD2  PRO   8           HD2      PRO   8   0.954   5.740   0.761
    7    HD3  PRO   8           HD3      PRO   8   2.043   6.651  -0.306

  No H/Q in entry =           7
  In of MODEL   24
    1    H    CYS   9           H        CYS   9  -0.297   3.623  -0.154
    2    HA   CYS   9           HA       CYS   9  -0.790   0.921  -1.104
    3    HB2  CYS   9           HB2      CYS   9  -0.243   1.608   1.326
    4    HB3  CYS   9           HB3      CYS   9  -1.928   2.105   1.413

  No H/Q in entry =           4
  In of MODEL   24
    1    H    CYS  10           H        CYS  10  -2.137   3.737  -1.899
    2    HA   CYS  10           HA       CYS  10  -4.842   2.583  -2.077
    3    HB2  CYS  10           HB2      CYS  10  -4.151   5.518  -1.829
    4    HB3  CYS  10           HB3      CYS  10  -5.769   4.833  -1.929

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ARG  11           H        ARG  11  -6.046   3.091  -3.980
    2    HA   ARG  11           HA       ARG  11  -4.345   3.365  -6.308
    3    HB2  ARG  11           HB2      ARG  11  -5.985   1.602  -6.360
    4    HB3  ARG  11           HB3      ARG  11  -7.283   2.734  -6.013
    5    HG2  ARG  11           HG2      ARG  11  -7.611   2.966  -8.188
    6    HG3  ARG  11           HG3      ARG  11  -6.006   3.683  -8.331
    7    HD2  ARG  11           HD2      ARG  11  -5.039   1.715  -9.020
    8    HD3  ARG  11           HD3      ARG  11  -6.254   0.716  -8.225
    9    HE   ARG  11           HE       ARG  11  -7.411   2.215 -10.332
   10   HH11  ARG  11          HH11      ARG  11  -5.382  -0.559  -9.727
   11   HH12  ARG  11          HH12      ARG  11  -5.829  -1.363 -11.193
   12   HH21  ARG  11          HH21      ARG  11  -8.001   1.159 -12.262
   13   HH22  ARG  11          HH22      ARG  11  -7.315  -0.388 -12.633

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  12           H        GLN  12  -7.630   4.618  -6.222
    2    HA   GLN  12           HA       GLN  12  -6.546   7.279  -6.870
    3    HB2  GLN  12           HB2      GLN  12  -8.877   5.753  -7.970
    4    HB3  GLN  12           HB3      GLN  12  -8.906   7.511  -7.985
    5    HG2  GLN  12           HG2      GLN  12  -6.430   6.343  -9.014
    6    HG3  GLN  12           HG3      GLN  12  -7.871   5.939  -9.946
    7   HE21  GLN  12          HE21      GLN  12  -6.979   8.868  -8.168
    8   HE22  GLN  12          HE22      GLN  12  -7.091   9.935  -9.523

  No H/Q in entry =           8
  In of MODEL   24
    1    H    CYS  13           H        CYS  13  -8.711   5.444  -4.892
    2    HA   CYS  13           HA       CYS  13  -8.982   7.442  -2.954
    3    HB2  CYS  13           HB2      CYS  13 -10.402   8.488  -4.739
    4    HB3  CYS  13           HB3      CYS  13 -11.484   7.105  -4.620

  No H/Q in entry =           4
  In of MODEL   24
    1    H    LYS  14           H        LYS  14  -8.476   4.629  -3.133
    2    HA   LYS  14           HA       LYS  14 -10.238   3.733  -1.057
    3    HB2  LYS  14           HB2      LYS  14 -10.454   2.614  -3.830
    4    HB3  LYS  14           HB3      LYS  14 -10.754   1.579  -2.441
    5    HG2  LYS  14           HG2      LYS  14 -12.862   2.283  -2.629
    6    HG3  LYS  14           HG3      LYS  14 -12.279   3.749  -1.838
    7    HD2  LYS  14           HD2      LYS  14 -13.242   4.715  -3.657
    8    HD3  LYS  14           HD3      LYS  14 -11.660   4.368  -4.359
    9    HE2  LYS  14           HE2      LYS  14 -13.343   3.647  -5.903
   10    HE3  LYS  14           HE3      LYS  14 -12.579   2.218  -5.209
   11    HZ3  LYS  14           HZ1      LYS  14 -14.450   1.646  -4.087
   12    HZ2  LYS  14           HZ2      LYS  14 -15.182   2.455  -5.380
   13    HZ1  LYS  14           HZ3      LYS  14 -14.982   3.241  -3.896

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  15           H        LEU  15  -9.266   2.241   0.217
    2    HA   LEU  15           HA       LEU  15  -6.526   1.803   0.044
    3    HB2  LEU  15           HB2      LEU  15  -8.712   0.942   1.741
    4    HB3  LEU  15           HB3      LEU  15  -7.537  -0.341   1.526
    5    HG   LEU  15           HG       LEU  15  -6.744   2.432   2.386
    6   HD12  LEU  15          HD11      LEU  15  -7.164   0.117   4.250
    7   HD11  LEU  15          HD12      LEU  15  -8.428   1.302   3.925
    8   HD13  LEU  15          HD13      LEU  15  -6.901   1.816   4.642
    9   HD23  LEU  15          HD21      LEU  15  -4.961   0.705   3.451
   10   HD22  LEU  15          HD22      LEU  15  -4.759   1.493   1.887
   11   HD21  LEU  15          HD23      LEU  15  -5.395  -0.150   1.972

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  16           H        LYS  16  -5.438   0.681  -1.421
    2    HA   LYS  16           HA       LYS  16  -6.483  -1.051  -3.296
    3    HB2  LYS  16           HB2      LYS  16  -3.964  -0.040  -2.683
    4    HB3  LYS  16           HB3      LYS  16  -3.760  -1.783  -2.574
    5    HG2  LYS  16           HG2      LYS  16  -3.449  -1.731  -4.774
    6    HG3  LYS  16           HG3      LYS  16  -5.190  -1.476  -4.900
    7    HD2  LYS  16           HD2      LYS  16  -4.472   0.317  -6.111
    8    HD3  LYS  16           HD3      LYS  16  -4.468   1.046  -4.504
    9    HE2  LYS  16           HE2      LYS  16  -2.138  -0.011  -6.082
   10    HE3  LYS  16           HE3      LYS  16  -2.402   1.628  -5.489
   11    HZ3  LYS  16           HZ1      LYS  16  -0.783   0.504  -4.130
   12    HZ2  LYS  16           HZ2      LYS  16  -1.853  -0.769  -3.825
   13    HZ1  LYS  16           HZ3      LYS  16  -2.183   0.775  -3.218

  No H/Q in entry =          13
  In of MODEL   24
    1    HA   PRO  17           HA       PRO  17  -7.474  -4.895  -1.385
    2    HB2  PRO  17           HB2      PRO  17  -5.921  -6.156  -3.594
    3    HB3  PRO  17           HB3      PRO  17  -7.575  -6.471  -3.059
    4    HG2  PRO  17           HG2      PRO  17  -7.112  -5.084  -5.282
    5    HG3  PRO  17           HG3      PRO  17  -8.430  -4.631  -4.185
    6    HD2  PRO  17           HD2      PRO  17  -5.761  -3.354  -4.573
    7    HD3  PRO  17           HD3      PRO  17  -7.331  -2.605  -4.222

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  18           H        ALA  18  -6.584  -6.282   0.071
    2    HA   ALA  18           HA       ALA  18  -3.980  -5.855   1.007
    3    HB3  ALA  18           HB1      ALA  18  -4.461  -7.380   2.654
    4    HB2  ALA  18           HB2      ALA  18  -5.367  -8.433   1.568
    5    HB1  ALA  18           HB3      ALA  18  -6.086  -6.928   2.140

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  19           H        GLY  19  -2.060  -6.616   0.389
    2    HA3  GLY  19           HA2      GLY  19  -0.731  -8.595  -0.205
    3    HA2  GLY  19           HA3      GLY  19  -2.009  -9.018  -1.332

  No H/Q in entry =           3
  In of MODEL   24
    1    H    THR  20           H        THR  20  -1.844  -5.797  -1.639
    2    HA   THR  20           HA       THR  20  -0.325  -5.971  -4.080
    3    HB   THR  20           HB       THR  20  -1.385  -3.420  -2.895
    4    HG1  THR  20           HG1      THR  20  -3.264  -4.348  -2.878
    5   HG23  THR  20          HG21      THR  20  -1.834  -2.828  -5.201
    6   HG22  THR  20          HG22      THR  20  -1.225  -4.394  -5.737
    7   HG21  THR  20          HG23      THR  20  -0.133  -3.235  -4.978

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR  21           H        THR  21   1.819  -5.885  -4.047
    2    HA   THR  21           HA       THR  21   3.338  -4.885  -1.888
    3    HB   THR  21           HB       THR  21   4.932  -4.895  -4.250
    4    HG1  THR  21           HG1      THR  21   3.922  -6.259  -5.459
    5   HG23  THR  21          HG21      THR  21   5.825  -5.619  -2.168
    6   HG22  THR  21          HG22      THR  21   5.852  -6.988  -3.280
    7   HG21  THR  21          HG23      THR  21   4.612  -6.892  -2.029

  No H/Q in entry =           7
  In of MODEL   24
    1    H    CYS  22           H        CYS  22   4.600  -3.026  -1.700
    2    HA   CYS  22           HA       CYS  22   3.553  -0.735  -3.163
    3    HB2  CYS  22           HB2      CYS  22   5.184  -1.056  -0.658
    4    HB3  CYS  22           HB3      CYS  22   5.061   0.508  -1.458

  No H/Q in entry =           4
  In of MODEL   24
    1    H    TRP  23           H        TRP  23   6.842  -1.387  -1.978
    2    HA   TRP  23           HA       TRP  23   7.962  -0.081  -4.296
    3    HB2  TRP  23           HB2      TRP  23   8.940   0.248  -2.053
    4    HB3  TRP  23           HB3      TRP  23   9.347  -1.464  -1.989
    5    HD1  TRP  23           HD1      TRP  23   9.913   0.675  -5.130
    6    HE1  TRP  23           HE1      TRP  23  12.443   0.789  -5.590
    7    HE3  TRP  23           HE3      TRP  23  11.611  -1.663  -0.913
    8    HZ2  TRP  23           HZ2      TRP  23  14.841  -0.007  -4.332
    9    HZ3  TRP  23           HZ3      TRP  23  14.037  -1.947  -0.618
   10    HH2  TRP  23           HH2      TRP  23  15.617  -1.136  -2.293

  No H/Q in entry =          10
  In of MODEL   24
    1    H    ARG  24           H        ARG  24   7.684  -3.346  -3.034
    2    HA   ARG  24           HA       ARG  24   8.076  -5.390  -3.952
    3    HB2  ARG  24           HB2      ARG  24   6.754  -4.007  -5.842
    4    HB3  ARG  24           HB3      ARG  24   8.247  -4.325  -6.715
    5    HG2  ARG  24           HG2      ARG  24   6.853  -6.565  -5.327
    6    HG3  ARG  24           HG3      ARG  24   6.248  -5.981  -6.879
    7    HD2  ARG  24           HD2      ARG  24   8.547  -6.296  -7.803
    8    HD3  ARG  24           HD3      ARG  24   8.999  -7.056  -6.278
    9    HE   ARG  24           HE       ARG  24   6.741  -8.373  -7.226
   10   HH11  ARG  24          HH11      ARG  24  10.060  -7.881  -8.184
   11   HH12  ARG  24          HH12      ARG  24  10.173  -9.391  -9.023
   12   HH21  ARG  24          HH21      ARG  24   6.887 -10.360  -8.329
   13   HH22  ARG  24          HH22      ARG  24   8.372 -10.799  -9.106

  No H/Q in entry =          13
  In of MODEL   24
    1    H    THR  25           H        THR  25  10.031  -6.160  -3.477
    2    HA   THR  25           HA       THR  25  12.191  -5.782  -5.358
    3    HB   THR  25           HB       THR  25  13.015  -5.273  -2.553
    4    HG1  THR  25           HG1      THR  25  11.875  -3.230  -4.150
    5   HG22  THR  25          HG21      THR  25  14.038  -3.402  -4.422
    6   HG21  THR  25          HG22      THR  25  14.170  -5.019  -5.114
    7   HG23  THR  25          HG23      THR  25  14.890  -4.671  -3.542

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  26           H        SER  26  14.061  -7.189  -4.848
    2    HA   SER  26           HA       SER  26  13.106  -9.735  -3.845
    3    HB2  SER  26           HB2      SER  26  14.440  -9.510  -5.970
    4    HB3  SER  26           HB3      SER  26  15.835  -9.086  -4.978
    5    HG   SER  26           HG       SER  26  15.488 -11.398  -5.618

  No H/Q in entry =           5
  In of MODEL   24
    1    H    VAL  27           H        VAL  27  13.064  -8.295  -1.692
    2    HA   VAL  27           HA       VAL  27  14.834  -9.521   0.093
    3    HB   VAL  27           HB       VAL  27  16.521  -8.030  -0.886
    4   HG11  VAL  27          HG11      VAL  27  14.773  -6.228  -1.407
    5   HG13  VAL  27          HG12      VAL  27  16.375  -5.701  -0.894
    6   HG12  VAL  27          HG13      VAL  27  15.034  -5.688   0.252
    7   HG22  VAL  27          HG21      VAL  27  16.825  -8.656   1.410
    8   HG21  VAL  27          HG22      VAL  27  15.722  -7.389   1.949
    9   HG23  VAL  27          HG23      VAL  27  17.276  -6.960   1.232

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  28           H        SER  28  12.855  -6.683  -0.561
    2    HA   SER  28           HA       SER  28  11.593  -7.043   2.068
    3    HB2  SER  28           HB2      SER  28  11.456  -4.613   2.365
    4    HB3  SER  28           HB3      SER  28  13.137  -5.124   2.211
    5    HG   SER  28           HG       SER  28  12.926  -3.402   0.873

  No H/Q in entry =           5
  In of MODEL   24
    1    H    SER  29           H        SER  29   9.924  -8.154   0.948
    2    HA   SER  29           HA       SER  29   8.434  -6.822  -1.123
    3    HB2  SER  29           HB2      SER  29   8.767  -9.406  -0.643
    4    HB3  SER  29           HB3      SER  29   7.329  -9.176   0.351
    5    HG   SER  29           HG       SER  29   6.191  -8.566  -1.431

  No H/Q in entry =           5
  In of MODEL   24
    1    H    HIS  30           H        HIS  30   7.862  -4.872  -0.022
    2    HA   HIS  30           HA       HIS  30   6.275  -4.904   2.348
    3    HB2  HIS  30           HB2      HIS  30   6.841  -2.756   0.303
    4    HB3  HIS  30           HB3      HIS  30   5.854  -2.483   1.735
    5    HD1  HIS  30           HD1      HIS  30   7.411  -0.895   2.933
    6    HD2  HIS  30           HD2      HIS  30   9.253  -4.458   1.848
    7    HE1  HIS  30           HE1      HIS  30   9.648  -0.872   4.082
    8    HE2  HIS  30           HE2      HIS  30  10.776  -3.002   3.348

  No H/Q in entry =           8
  In of MODEL   24
    1    H    TYR  31           H        TYR  31   4.479  -6.186   2.056
    2    HA   TYR  31           HA       TYR  31   2.705  -5.721  -0.188
    3    HB2  TYR  31           HB2      TYR  31   2.749  -7.662   2.103
    4    HB3  TYR  31           HB3      TYR  31   1.288  -7.455   1.143
    5    HD1  TYR  31           HD1      TYR  31   1.994  -7.342  -1.550
    6    HD2  TYR  31           HD2      TYR  31   3.944  -9.539   1.528
    7    HE1  TYR  31           HE1      TYR  31   2.873  -8.907  -3.232
    8    HE2  TYR  31           HE2      TYR  31   4.829 -11.109  -0.145
    9    HH   TYR  31           HH       TYR  31   3.668 -11.412  -3.178

  No H/Q in entry =           9
  In of MODEL   24
    1    H    CYS  32           H        CYS  32   0.452  -5.181   0.075
    2    HA   CYS  32           HA       CYS  32   0.070  -3.198   2.183
    3    HB2  CYS  32           HB2      CYS  32  -0.965  -3.603  -0.546
    4    HB3  CYS  32           HB3      CYS  32  -2.155  -3.015   0.610

  No H/Q in entry =           4
  In of MODEL   24
    1    H    THR  33           H        THR  33  -1.418  -3.368   3.769
    2    HA   THR  33           HA       THR  33  -2.804  -5.929   4.010
    3    HB   THR  33           HB       THR  33  -2.966  -5.506   6.329
    4    HG1  THR  33           HG1      THR  33  -2.618  -3.474   7.220
    5   HG22  THR  33          HG21      THR  33  -0.467  -4.059   6.265
    6   HG21  THR  33          HG22      THR  33  -0.482  -5.411   5.132
    7   HG23  THR  33          HG23      THR  33  -0.820  -5.688   6.841

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY  34           H        GLY  34  -3.582  -3.331   2.429
    2    HA3  GLY  34           HA2      GLY  34  -5.501  -2.147   1.963
    3    HA2  GLY  34           HA3      GLY  34  -6.293  -3.675   2.311

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ARG  35           H        ARG  35  -4.516  -1.933   4.760
    2    HA   ARG  35           HA       ARG  35  -7.076  -1.297   6.074
    3    HB2  ARG  35           HB2      ARG  35  -4.510  -2.390   7.110
    4    HB3  ARG  35           HB3      ARG  35  -5.408  -1.298   8.155
    5    HG2  ARG  35           HG2      ARG  35  -6.967  -3.464   6.903
    6    HG3  ARG  35           HG3      ARG  35  -5.774  -3.953   8.108
    7    HD2  ARG  35           HD2      ARG  35  -6.759  -2.398   9.716
    8    HD3  ARG  35           HD3      ARG  35  -7.943  -1.895   8.511
    9    HE   ARG  35           HE       ARG  35  -8.020  -4.257  10.123
   10   HH11  ARG  35          HH11      ARG  35  -9.003  -2.892   7.066
   11   HH12  ARG  35          HH12      ARG  35 -10.350  -3.964   6.878
   12   HH21  ARG  35          HH21      ARG  35  -9.791  -5.669   9.877
   13   HH22  ARG  35          HH22      ARG  35 -10.797  -5.540   8.474

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  36           H        SER  36  -3.836  -0.160   5.335
    2    HA   SER  36           HA       SER  36  -4.728   2.569   5.959
    3    HB2  SER  36           HB2      SER  36  -2.360   1.121   7.014
    4    HB3  SER  36           HB3      SER  36  -2.111   2.801   6.541
    5    HG   SER  36           HG       SER  36  -3.686   3.424   7.986

  No H/Q in entry =           5
  In of MODEL   24
    1    H    CYS  37           H        CYS  37  -3.711   4.235   4.739
    2    HA   CYS  37           HA       CYS  37  -3.160   3.490   2.046
    3    HB2  CYS  37           HB2      CYS  37  -4.144   5.727   3.150
    4    HB3  CYS  37           HB3      CYS  37  -2.463   6.221   2.983

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLU  38           H        GLU  38  -1.211   4.068   4.839
    2    HA   GLU  38           HA       GLU  38   1.225   4.328   3.249
    3    HB2  GLU  38           HB2      GLU  38   0.944   4.342   6.256
    4    HB3  GLU  38           HB3      GLU  38   2.342   4.852   5.321
    5    HG2  GLU  38           HG2      GLU  38   1.489   6.879   4.909
    6    HG3  GLU  38           HG3      GLU  38  -0.142   6.257   4.661

  No H/Q in entry =           6
  In of MODEL   24
    1    H    CYS  39           H        CYS  39   2.491   2.651   2.801
    2    HA   CYS  39           HA       CYS  39   1.837   0.016   3.452
    3    HB2  CYS  39           HB2      CYS  39   3.744   1.322   1.837
    4    HB3  CYS  39           HB3      CYS  39   4.655   0.253   2.898

  No H/Q in entry =           4
  In of MODEL   24
    1    HA   PRO  40           HA       PRO  40   3.496  -0.500   7.517
    2    HB2  PRO  40           HB2      PRO  40   3.866  -3.176   7.558
    3    HB3  PRO  40           HB3      PRO  40   2.259  -2.442   7.592
    4    HG2  PRO  40           HG2      PRO  40   3.754  -3.624   5.282
    5    HG3  PRO  40           HG3      PRO  40   2.046  -3.810   5.722
    6    HD2  PRO  40           HD2      PRO  40   2.896  -2.098   3.790
    7    HD3  PRO  40           HD3      PRO  40   1.454  -1.796   4.781

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  41           H        SER  41   5.367  -1.720   8.643
    2    HA   SER  41           HA       SER  41   7.787  -1.248   7.052
    3    HB2  SER  41           HB2      SER  41   7.213  -1.203  10.003
    4    HB3  SER  41           HB3      SER  41   8.866  -1.377   9.413
    5    HG   SER  41           HG       SER  41   8.576   0.584   8.269

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  42           H        TYR  42   6.252  -3.665   6.745
    2    HA   TYR  42           HA       TYR  42   8.019  -5.674   7.961
    3    HB2  TYR  42           HB2      TYR  42   5.187  -5.698   7.046
    4    HB3  TYR  42           HB3      TYR  42   6.104  -7.192   6.883
    5    HD1  TYR  42           HD1      TYR  42   4.844  -4.698   9.296
    6    HD2  TYR  42           HD2      TYR  42   6.652  -8.515   8.789
    7    HE1  TYR  42           HE1      TYR  42   4.426  -5.204  11.665
    8    HE2  TYR  42           HE2      TYR  42   6.237  -9.033  11.157
    9    HH   TYR  42           HH       TYR  42   5.825  -7.911  13.242

  No H/Q in entry =           9
  In of MODEL   24
    1    HA   PRO  43           HA       PRO  43   9.562  -5.525   3.632
    2    HB2  PRO  43           HB2      PRO  43  12.090  -6.294   4.261
    3    HB3  PRO  43           HB3      PRO  43  11.541  -4.617   4.366
    4    HG2  PRO  43           HG2      PRO  43  11.820  -6.658   6.539
    5    HG3  PRO  43           HG3      PRO  43  12.274  -4.944   6.550
    6    HD2  PRO  43           HD2      PRO  43   9.996  -5.851   7.695
    7    HD3  PRO  43           HD3      PRO  43  10.112  -4.245   6.948

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY  44           H        GLY  44   8.368  -7.309   2.938
    2    HA3  GLY  44           HA2      GLY  44   8.720  -9.445   1.896
    3    HA2  GLY  44           HA3      GLY  44   9.767  -9.882   3.238

  No H/Q in entry =           3
  In of MODEL   25
    1    H1   ALA   1           H3       ALA   1 -11.212  16.744   3.312
    2    H2   ALA   1           H2       ALA   1 -11.541  15.904   1.851
    3    H3   ALA   1           H1       ALA   1 -12.667  17.048   2.459
    4    HA   ALA   1           HA       ALA   1 -13.230  15.720   4.244
    5    HB3  ALA   1           HB1      ALA   1 -13.042  13.575   2.223
    6    HB1  ALA   1           HB2      ALA   1 -13.830  15.068   1.715
    7    HB2  ALA   1           HB3      ALA   1 -14.439  14.181   3.112

  No H/Q in entry =           7
  In of MODEL   25
    1    H    MET   2           H        MET   2 -13.067  13.378   5.112
    2    HA   MET   2           HA       MET   2 -10.223  12.856   5.610
    3    HB2  MET   2           HB2      MET   2 -12.179  13.246   7.413
    4    HB3  MET   2           HB3      MET   2 -12.309  11.503   7.228
    5    HG2  MET   2           HG2      MET   2  -9.943  11.269   7.793
    6    HG3  MET   2           HG3      MET   2  -9.822  13.016   7.990
    7    HE2  MET   2           HE1      MET   2  -9.402  12.750  11.393
    8    HE1  MET   2           HE2      MET   2  -8.629  12.183   9.912
    9    HE3  MET   2           HE3      MET   2  -9.256  11.020  11.081

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP   3           H        ASP   3 -11.411  11.959   3.184
    2    HA   ASP   3           HA       ASP   3 -11.177   9.051   3.572
    3    HB2  ASP   3           HB2      ASP   3 -13.054  10.433   1.642
    4    HB3  ASP   3           HB3      ASP   3 -12.847   8.693   1.813

  No H/Q in entry =           4
  In of MODEL   25
    1    H    CYS   4           H        CYS   4 -10.359   7.879   1.731
    2    HA   CYS   4           HA       CYS   4  -8.847   7.519   0.070
    3    HB2  CYS   4           HB2      CYS   4  -9.814  10.234  -0.846
    4    HB3  CYS   4           HB3      CYS   4  -8.808   9.153  -1.805

  No H/Q in entry =           4
  In of MODEL   25
    1    H    THR   5           H        THR   5  -6.821   7.446   0.785
    2    HA   THR   5           HA       THR   5  -5.474   9.954   1.502
    3    HB   THR   5           HB       THR   5  -3.967   7.549   2.098
    4    HG1  THR   5           HG1      THR   5  -5.361   6.473   3.290
    5   HG21  THR   5          HG21      THR   5  -4.945   9.929   3.579
    6   HG23  THR   5          HG22      THR   5  -3.305   9.313   3.379
    7   HG22  THR   5          HG23      THR   5  -4.418   8.512   4.488

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR   6           H        THR   6  -4.909  10.662  -0.554
    2    HA   THR   6           HA       THR   6  -3.916   9.297  -2.687
    3    HB   THR   6           HB       THR   6  -2.393  11.493  -2.898
    4    HG1  THR   6           HG1      THR   6  -2.962  13.049  -1.574
    5   HG21  THR   6          HG21      THR   6  -4.951  10.769  -3.772
    6   HG23  THR   6          HG22      THR   6  -3.905  12.039  -4.409
    7   HG22  THR   6          HG23      THR   6  -5.085  12.416  -3.154

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY   7           H        GLY   7  -2.584   7.581  -2.301
    2    HA3  GLY   7           HA2      GLY   7   0.194   8.245  -1.718
    3    HA2  GLY   7           HA3      GLY   7  -0.577   7.103  -0.627

  No H/Q in entry =           3
  In of MODEL   25
    1    HA   PRO   8           HA       PRO   8   1.235   4.724  -4.189
    2    HB2  PRO   8           HB2      PRO   8   2.663   2.963  -2.734
    3    HB3  PRO   8           HB3      PRO   8   3.285   4.566  -3.145
    4    HG2  PRO   8           HG2      PRO   8   2.043   3.614  -0.593
    5    HG3  PRO   8           HG3      PRO   8   3.472   4.638  -0.828
    6    HD2  PRO   8           HD2      PRO   8   1.011   5.627  -0.199
    7    HD3  PRO   8           HD3      PRO   8   2.214   6.535  -1.134

  No H/Q in entry =           7
  In of MODEL   25
    1    H    CYS   9           H        CYS   9  -0.350   3.779  -1.207
    2    HA   CYS   9           HA       CYS   9  -1.209   1.248  -2.401
    3    HB2  CYS   9           HB2      CYS   9  -0.764   2.204   0.317
    4    HB3  CYS   9           HB3      CYS   9  -2.306   1.375   0.145

  No H/Q in entry =           4
  In of MODEL   25
    1    H    CYS  10           H        CYS  10  -2.243   3.779  -3.363
    2    HA   CYS  10           HA       CYS  10  -5.045   3.138  -3.258
    3    HB2  CYS  10           HB2      CYS  10  -3.950   5.534  -1.843
    4    HB3  CYS  10           HB3      CYS  10  -5.503   5.669  -2.659

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ARG  11           H        ARG  11  -5.454   3.140  -5.368
    2    HA   ARG  11           HA       ARG  11  -4.023   4.452  -7.341
    3    HB2  ARG  11           HB2      ARG  11  -6.321   4.209  -8.641
    4    HB3  ARG  11           HB3      ARG  11  -5.321   2.815  -8.264
    5    HG2  ARG  11           HG2      ARG  11  -6.815   1.966  -6.804
    6    HG3  ARG  11           HG3      ARG  11  -7.325   3.556  -6.231
    7    HD2  ARG  11           HD2      ARG  11  -9.204   3.062  -7.379
    8    HD3  ARG  11           HD3      ARG  11  -8.262   3.647  -8.750
    9    HE   ARG  11           HE       ARG  11  -7.665   1.005  -8.656
   10   HH11  ARG  11          HH11      ARG  11 -10.663   2.788  -8.749
   11   HH12  ARG  11          HH12      ARG  11 -11.522   1.543  -9.591
   12   HH21  ARG  11          HH21      ARG  11  -8.793  -0.634  -9.763
   13   HH22  ARG  11          HH22      ARG  11 -10.461  -0.400 -10.166

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  12           H        GLN  12  -7.422   5.360  -7.085
    2    HA   GLN  12           HA       GLN  12  -6.580   8.181  -7.008
    3    HB2  GLN  12           HB2      GLN  12  -7.701   7.043  -9.163
    4    HB3  GLN  12           HB3      GLN  12  -9.164   7.477  -8.289
    5    HG2  GLN  12           HG2      GLN  12  -7.076   9.558  -8.573
    6    HG3  GLN  12           HG3      GLN  12  -7.990   9.112 -10.013
    7   HE21  GLN  12          HE21      GLN  12  -8.519  11.487  -9.651
    8   HE22  GLN  12          HE22      GLN  12  -9.940  11.818  -8.726

  No H/Q in entry =           8
  In of MODEL   25
    1    H    CYS  13           H        CYS  13  -8.572   5.727  -5.661
    2    HA   CYS  13           HA       CYS  13  -9.262   7.166  -3.394
    3    HB2  CYS  13           HB2      CYS  13 -10.883   7.865  -5.635
    4    HB3  CYS  13           HB3      CYS  13 -11.887   6.972  -4.500

  No H/Q in entry =           4
  In of MODEL   25
    1    H    LYS  14           H        LYS  14  -8.430   4.529  -4.137
    2    HA   LYS  14           HA       LYS  14 -10.448   3.024  -2.685
    3    HB2  LYS  14           HB2      LYS  14 -10.752   2.869  -5.286
    4    HB3  LYS  14           HB3      LYS  14  -9.381   1.772  -5.186
    5    HG2  LYS  14           HG2      LYS  14 -11.463   0.541  -5.157
    6    HG3  LYS  14           HG3      LYS  14 -10.623   0.367  -3.614
    7    HD2  LYS  14           HD2      LYS  14 -12.104   1.854  -2.530
    8    HD3  LYS  14           HD3      LYS  14 -12.768   2.428  -4.061
    9    HE2  LYS  14           HE2      LYS  14 -13.173  -0.243  -2.741
   10    HE3  LYS  14           HE3      LYS  14 -14.388   0.973  -3.133
   11    HZ1  LYS  14           HZ1      LYS  14 -13.591   0.547  -5.543
   12    HZ3  LYS  14           HZ2      LYS  14 -14.657  -0.546  -4.816
   13    HZ2  LYS  14           HZ3      LYS  14 -13.010  -0.914  -4.919

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  15           H        LEU  15  -9.433   1.969  -1.129
    2    HA   LEU  15           HA       LEU  15  -6.729   1.828  -0.714
    3    HB2  LEU  15           HB2      LEU  15  -8.959   0.034   0.201
    4    HB3  LEU  15           HB3      LEU  15  -7.302  -0.244   0.703
    5    HG   LEU  15           HG       LEU  15  -8.752   2.356   1.175
    6   HD12  LEU  15          HD11      LEU  15  -8.587   1.262   3.616
    7   HD11  LEU  15          HD12      LEU  15  -8.818  -0.197   2.653
    8   HD13  LEU  15          HD13      LEU  15 -10.004   1.106   2.578
    9   HD22  LEU  15          HD21      LEU  15  -6.588   2.933   1.495
   10   HD21  LEU  15          HD22      LEU  15  -6.075   1.273   1.796
   11   HD23  LEU  15          HD23      LEU  15  -6.869   2.196   3.072

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  16           H        LYS  16  -5.169   0.948  -1.887
    2    HA   LYS  16           HA       LYS  16  -5.415  -0.707  -4.043
    3    HB2  LYS  16           HB2      LYS  16  -3.223   0.042  -2.234
    4    HB3  LYS  16           HB3      LYS  16  -2.973  -1.484  -3.071
    5    HG2  LYS  16           HG2      LYS  16  -3.758   0.006  -5.142
    6    HG3  LYS  16           HG3      LYS  16  -3.060   1.272  -4.129
    7    HD2  LYS  16           HD2      LYS  16  -0.947   0.478  -4.359
    8    HD3  LYS  16           HD3      LYS  16  -1.473  -1.205  -4.430
    9    HE2  LYS  16           HE2      LYS  16  -1.741  -1.169  -6.681
   10    HE3  LYS  16           HE3      LYS  16  -2.251   0.518  -6.701
   11    HZ1  LYS  16           HZ1      LYS  16   0.545  -0.394  -6.292
   12    HZ3  LYS  16           HZ2      LYS  16   0.021   1.207  -6.440
   13    HZ2  LYS  16           HZ3      LYS  16  -0.082   0.159  -7.763

  No H/Q in entry =          13
  In of MODEL   25
    1    HA   PRO  17           HA       PRO  17  -6.668  -4.749  -2.789
    2    HB2  PRO  17           HB2      PRO  17  -4.434  -5.684  -4.535
    3    HB3  PRO  17           HB3      PRO  17  -6.130  -6.182  -4.514
    4    HG2  PRO  17           HG2      PRO  17  -5.225  -4.551  -6.410
    5    HG3  PRO  17           HG3      PRO  17  -6.831  -4.314  -5.698
    6    HD2  PRO  17           HD2      PRO  17  -4.312  -2.784  -5.250
    7    HD3  PRO  17           HD3      PRO  17  -5.994  -2.216  -5.260

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  18           H        ALA  18  -6.204  -5.777  -0.956
    2    HA   ALA  18           HA       ALA  18  -3.891  -5.440   0.535
    3    HB1  ALA  18           HB1      ALA  18  -6.276  -6.481   1.084
    4    HB3  ALA  18           HB2      ALA  18  -4.857  -6.797   2.082
    5    HB2  ALA  18           HB3      ALA  18  -5.374  -7.983   0.884

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  19           H        GLY  19  -1.943  -5.869  -0.357
    2    HA3  GLY  19           HA2      GLY  19  -0.516  -8.032  -0.283
    3    HA2  GLY  19           HA3      GLY  19  -1.532  -8.478  -1.646

  No H/Q in entry =           3
  In of MODEL   25
    1    H    THR  20           H        THR  20  -1.446  -5.402  -2.234
    2    HA   THR  20           HA       THR  20   0.572  -5.575  -4.225
    3    HB   THR  20           HB       THR  20  -0.824  -3.090  -3.216
    4    HG1  THR  20           HG1      THR  20  -1.634  -4.832  -5.298
    5   HG23  THR  20          HG21      THR  20   0.823  -2.348  -4.675
    6   HG22  THR  20          HG22      THR  20  -0.612  -2.488  -5.690
    7   HG21  THR  20          HG23      THR  20   0.634  -3.736  -5.746

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR  21           H        THR  21   2.672  -5.530  -3.789
    2    HA   THR  21           HA       THR  21   3.740  -4.422  -1.394
    3    HB   THR  21           HB       THR  21   5.788  -4.781  -3.357
    4    HG1  THR  21           HG1      THR  21   4.446  -6.043  -4.564
    5   HG22  THR  21          HG21      THR  21   6.422  -6.693  -1.949
    6   HG21  THR  21          HG22      THR  21   4.927  -6.484  -1.035
    7   HG23  THR  21          HG23      THR  21   6.152  -5.215  -1.025

  No H/Q in entry =           7
  In of MODEL   25
    1    H    CYS  22           H        CYS  22   4.907  -2.568  -1.059
    2    HA   CYS  22           HA       CYS  22   4.326  -0.378  -2.817
    3    HB2  CYS  22           HB2      CYS  22   4.770  -0.588  -0.127
    4    HB3  CYS  22           HB3      CYS  22   6.301   0.079  -0.684

  No H/Q in entry =           4
  In of MODEL   25
    1    H    TRP  23           H        TRP  23   7.379  -1.761  -1.592
    2    HA   TRP  23           HA       TRP  23   8.739  -0.621  -3.934
    3    HB2  TRP  23           HB2      TRP  23   9.620   0.106  -1.758
    4    HB3  TRP  23           HB3      TRP  23   9.907  -1.573  -1.312
    5    HD1  TRP  23           HD1      TRP  23  10.789  -0.423  -4.836
    6    HE1  TRP  23           HE1      TRP  23  13.349  -0.447  -5.103
    7    HE3  TRP  23           HE3      TRP  23  12.103  -1.320   0.023
    8    HZ2  TRP  23           HZ2      TRP  23  15.624  -0.799  -3.469
    9    HZ3  TRP  23           HZ3      TRP  23  14.492  -1.486   0.587
   10    HH2  TRP  23           HH2      TRP  23  16.215  -1.231  -1.124

  No H/Q in entry =          10
  In of MODEL   25
    1    H    ARG  24           H        ARG  24   9.390  -3.399  -1.827
    2    HA   ARG  24           HA       ARG  24   9.953  -5.557  -2.273
    3    HB2  ARG  24           HB2      ARG  24   7.659  -5.480  -3.311
    4    HB3  ARG  24           HB3      ARG  24   8.440  -5.185  -4.859
    5    HG2  ARG  24           HG2      ARG  24   9.134  -7.578  -3.197
    6    HG3  ARG  24           HG3      ARG  24   7.746  -7.579  -4.287
    7    HD2  ARG  24           HD2      ARG  24   9.436  -6.749  -6.058
    8    HD3  ARG  24           HD3      ARG  24  10.661  -7.343  -4.938
    9    HE   ARG  24           HE       ARG  24  10.092  -9.491  -5.500
   10   HH11  ARG  24          HH11      ARG  24   7.616  -7.319  -6.654
   11   HH12  ARG  24          HH12      ARG  24   6.795  -8.540  -7.567
   12   HH21  ARG  24          HH21      ARG  24   9.015 -11.098  -6.701
   13   HH22  ARG  24          HH22      ARG  24   7.589 -10.685  -7.594

  No H/Q in entry =          13
  In of MODEL   25
    1    H    THR  25           H        THR  25  12.139  -5.461  -2.510
    2    HA   THR  25           HA       THR  25  13.257  -4.735  -5.110
    3    HB   THR  25           HB       THR  25  15.034  -5.582  -2.892
    4    HG1  THR  25           HG1      THR  25  13.376  -3.299  -2.778
    5   HG22  THR  25          HG21      THR  25  16.000  -3.246  -3.585
    6   HG21  THR  25          HG22      THR  25  15.049  -3.537  -5.042
    7   HG23  THR  25          HG23      THR  25  16.298  -4.686  -4.559

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  26           H        SER  26  12.888  -7.478  -2.962
    2    HA   SER  26           HA       SER  26  13.089  -9.381  -5.000
    3    HB2  SER  26           HB2      SER  26  15.284 -10.445  -4.201
    4    HB3  SER  26           HB3      SER  26  15.414  -8.997  -5.199
    5    HG   SER  26           HG       SER  26  16.378  -8.055  -3.601

  No H/Q in entry =           5
  In of MODEL   25
    1    H    VAL  27           H        VAL  27  13.636  -8.705  -1.589
    2    HA   VAL  27           HA       VAL  27  12.085 -11.117  -0.937
    3    HB   VAL  27           HB       VAL  27  14.458 -11.533  -0.439
    4   HG12  VAL  27          HG11      VAL  27  14.242  -9.281   1.552
    5   HG11  VAL  27          HG12      VAL  27  15.048  -9.152  -0.011
    6   HG13  VAL  27          HG13      VAL  27  15.659 -10.272   1.207
    7   HG21  VAL  27          HG21      VAL  27  12.326 -11.533   1.580
    8   HG23  VAL  27          HG22      VAL  27  13.960 -11.686   2.226
    9   HG22  VAL  27          HG23      VAL  27  13.373 -12.842   1.031

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  28           H        SER  28  13.205  -7.956   0.180
    2    HA   SER  28           HA       SER  28  11.454  -7.763   2.388
    3    HB2  SER  28           HB2      SER  28  13.499  -6.366   2.075
    4    HB3  SER  28           HB3      SER  28  12.662  -5.493   0.792
    5    HG   SER  28           HG       SER  28  11.491  -4.471   2.235

  No H/Q in entry =           5
  In of MODEL   25
    1    H    SER  29           H        SER  29   9.320  -8.010   2.087
    2    HA   SER  29           HA       SER  29   8.006  -6.188   0.190
    3    HB2  SER  29           HB2      SER  29   7.346  -9.107   0.645
    4    HB3  SER  29           HB3      SER  29   6.329  -7.989  -0.263
    5    HG   SER  29           HG       SER  29   8.069  -9.390  -1.356

  No H/Q in entry =           5
  In of MODEL   25
    1    H    HIS  30           H        HIS  30   6.787  -4.822   1.300
    2    HA   HIS  30           HA       HIS  30   5.939  -5.380   3.983
    3    HB2  HIS  30           HB2      HIS  30   5.066  -3.060   2.262
    4    HB3  HIS  30           HB3      HIS  30   5.107  -3.142   4.020
    5    HD1  HIS  30           HD1      HIS  30   6.529  -0.821   2.839
    6    HD2  HIS  30           HD2      HIS  30   8.388  -4.498   3.372
    7    HE1  HIS  30           HE1      HIS  30   8.994  -0.326   2.897
    8    HE2  HIS  30           HE2      HIS  30  10.102  -2.576   3.133

  No H/Q in entry =           8
  In of MODEL   25
    1    H    TYR  31           H        TYR  31   4.411  -5.226   0.821
    2    HA   TYR  31           HA       TYR  31   2.393  -5.938   0.056
    3    HB2  TYR  31           HB2      TYR  31   2.395  -7.481   2.658
    4    HB3  TYR  31           HB3      TYR  31   1.223  -7.713   1.364
    5    HD1  TYR  31           HD1      TYR  31   3.826  -9.284   2.764
    6    HD2  TYR  31           HD2      TYR  31   2.723  -7.770  -1.056
    7    HE1  TYR  31           HE1      TYR  31   5.339 -10.900   1.693
    8    HE2  TYR  31           HE2      TYR  31   4.232  -9.383  -2.137
    9    HH   TYR  31           HH       TYR  31   5.300 -11.504  -1.672

  No H/Q in entry =           9
  In of MODEL   25
    1    H    CYS  32           H        CYS  32   0.552  -4.833  -0.084
    2    HA   CYS  32           HA       CYS  32  -0.182  -2.973   1.953
    3    HB2  CYS  32           HB2      CYS  32  -0.495  -2.912  -0.680
    4    HB3  CYS  32           HB3      CYS  32  -2.045  -3.644  -0.280

  No H/Q in entry =           4
  In of MODEL   25
    1    H    THR  33           H        THR  33  -1.888  -3.002   3.356
    2    HA   THR  33           HA       THR  33  -3.111  -5.615   3.809
    3    HB   THR  33           HB       THR  33  -3.610  -4.870   6.010
    4    HG1  THR  33           HG1      THR  33  -4.079  -2.877   6.388
    5   HG23  THR  33          HG21      THR  33  -1.535  -4.886   6.778
    6   HG22  THR  33          HG22      THR  33  -1.171  -3.330   6.031
    7   HG21  THR  33          HG23      THR  33  -1.000  -4.817   5.098

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY  34           H        GLY  34  -3.889  -3.396   1.764
    2    HA3  GLY  34           HA2      GLY  34  -5.819  -2.478   0.909
    3    HA2  GLY  34           HA3      GLY  34  -6.545  -3.981   1.455

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ARG  35           H        ARG  35  -5.159  -1.617   3.645
    2    HA   ARG  35           HA       ARG  35  -7.807  -0.599   4.330
    3    HB2  ARG  35           HB2      ARG  35  -6.963  -2.716   5.725
    4    HB3  ARG  35           HB3      ARG  35  -6.131  -1.459   6.629
    5    HG2  ARG  35           HG2      ARG  35  -8.234  -0.345   7.076
    6    HG3  ARG  35           HG3      ARG  35  -9.094  -1.538   6.099
    7    HD2  ARG  35           HD2      ARG  35  -7.600  -2.028   8.671
    8    HD3  ARG  35           HD3      ARG  35  -9.345  -2.094   8.429
    9    HE   ARG  35           HE       ARG  35  -7.433  -4.142   7.815
   10   HH11  ARG  35          HH11      ARG  35 -10.566  -2.840   6.997
   11   HH12  ARG  35          HH12      ARG  35 -11.162  -4.338   6.364
   12   HH21  ARG  35          HH21      ARG  35  -8.215  -6.112   6.982
   13   HH22  ARG  35          HH22      ARG  35  -9.828  -6.196   6.355

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  36           H        SER  36  -5.092   0.345   3.265
    2    HA   SER  36           HA       SER  36  -5.139   2.916   4.367
    3    HB2  SER  36           HB2      SER  36  -3.306   3.005   5.832
    4    HB3  SER  36           HB3      SER  36  -4.125   1.514   6.295
    5    HG   SER  36           HG       SER  36  -2.603   0.359   5.093

  No H/Q in entry =           5
  In of MODEL   25
    1    H    CYS  37           H        CYS  37  -4.066   4.302   3.049
    2    HA   CYS  37           HA       CYS  37  -2.825   3.206   0.699
    3    HB2  CYS  37           HB2      CYS  37  -2.876   6.127   1.394
    4    HB3  CYS  37           HB3      CYS  37  -2.905   5.373  -0.195

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLU  38           H        GLU  38  -1.686   3.974   3.753
    2    HA   GLU  38           HA       GLU  38   0.969   4.761   2.818
    3    HB2  GLU  38           HB2      GLU  38  -0.251   5.884   4.778
    4    HB3  GLU  38           HB3      GLU  38   0.127   4.429   5.689
    5    HG2  GLU  38           HG2      GLU  38   1.865   5.813   6.259
    6    HG3  GLU  38           HG3      GLU  38   2.561   4.890   4.927

  No H/Q in entry =           6
  In of MODEL   25
    1    H    CYS  39           H        CYS  39   1.794   2.875   1.960
    2    HA   CYS  39           HA       CYS  39   1.617   0.319   3.052
    3    HB2  CYS  39           HB2      CYS  39   3.710  -0.141   1.716
    4    HB3  CYS  39           HB3      CYS  39   2.376   0.557   0.805

  No H/Q in entry =           4
  In of MODEL   25
    1    HA   PRO  40           HA       PRO  40   3.947   1.093   6.857
    2    HB2  PRO  40           HB2      PRO  40   3.740  -1.880   6.902
    3    HB3  PRO  40           HB3      PRO  40   3.393  -0.708   8.179
    4    HG2  PRO  40           HG2      PRO  40   1.412  -1.894   6.857
    5    HG3  PRO  40           HG3      PRO  40   1.306  -0.183   7.312
    6    HD2  PRO  40           HD2      PRO  40   1.865  -1.408   4.648
    7    HD3  PRO  40           HD3      PRO  40   0.952   0.061   5.047

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  41           H        SER  41   5.932  -0.063   7.827
    2    HA   SER  41           HA       SER  41   7.781  -0.713   5.628
    3    HB2  SER  41           HB2      SER  41   8.866   0.183   8.243
    4    HB3  SER  41           HB3      SER  41   9.416   0.548   6.608
    5    HG   SER  41           HG       SER  41   7.484   1.895   6.456

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  42           H        TYR  42   6.148  -2.681   6.855
    2    HA   TYR  42           HA       TYR  42   8.140  -4.231   8.376
    3    HB2  TYR  42           HB2      TYR  42   5.165  -4.728   8.380
    4    HB3  TYR  42           HB3      TYR  42   6.370  -5.363   9.495
    5    HD1  TYR  42           HD1      TYR  42   7.692  -3.516  10.851
    6    HD2  TYR  42           HD2      TYR  42   3.881  -2.928   9.052
    7    HE1  TYR  42           HE1      TYR  42   7.263  -1.644  12.386
    8    HE2  TYR  42           HE2      TYR  42   3.442  -1.053  10.581
    9    HH   TYR  42           HH       TYR  42   4.640   0.520  11.958

  No H/Q in entry =           9
  In of MODEL   25
    1    HA   PRO  43           HA       PRO  43   8.023  -6.268   4.229
    2    HB2  PRO  43           HB2      PRO  43  10.370  -7.534   5.563
    3    HB3  PRO  43           HB3      PRO  43  10.212  -6.909   3.917
    4    HG2  PRO  43           HG2      PRO  43  11.552  -5.539   5.764
    5    HG3  PRO  43           HG3      PRO  43  10.522  -4.708   4.582
    6    HD2  PRO  43           HD2      PRO  43  10.021  -5.275   7.469
    7    HD3  PRO  43           HD3      PRO  43   9.554  -3.865   6.496

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY  44           H        GLY  44   8.480  -8.770   3.845
    2    HA3  GLY  44           HA2      GLY  44   7.358 -10.346   6.053
    3    HA2  GLY  44           HA3      GLY  44   6.521 -10.351   4.508

  No H/Q in entry =           3
  In of MODEL   26
    1    H1   ALA   1           H1       ALA   1  -9.440  17.441   3.724
    2    H2   ALA   1           H3       ALA   1  -9.301  19.148   3.652
    3    H3   ALA   1           H2       ALA   1  -9.638  18.255   2.226
    4    HA   ALA   1           HA       ALA   1  -7.390  18.939   2.238
    5    HB1  ALA   1           HB1      ALA   1  -6.932  19.253   4.529
    6    HB3  ALA   1           HB2      ALA   1  -5.886  17.933   4.009
    7    HB2  ALA   1           HB3      ALA   1  -7.354  17.587   4.922

  No H/Q in entry =           7
  In of MODEL   26
    1    H    MET   2           H        MET   2  -7.651  17.655   0.392
    2    HA   MET   2           HA       MET   2  -7.196  15.903  -0.981
    3    HB2  MET   2           HB2      MET   2  -5.463  15.404   1.365
    4    HB3  MET   2           HB3      MET   2  -5.751  14.022   0.317
    5    HG2  MET   2           HG2      MET   2  -4.761  15.062  -1.524
    6    HG3  MET   2           HG3      MET   2  -4.853  16.659  -0.782
    7    HE2  MET   2           HE1      MET   2  -2.042  16.807   1.712
    8    HE1  MET   2           HE2      MET   2  -3.740  17.195   1.432
    9    HE3  MET   2           HE3      MET   2  -2.513  17.723   0.280

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP   3           H        ASP   3  -7.264  14.036   2.034
    2    HA   ASP   3           HA       ASP   3  -8.604  12.344   2.749
    3    HB2  ASP   3           HB2      ASP   3 -10.289  14.385   2.214
    4    HB3  ASP   3           HB3      ASP   3 -10.920  13.176   1.099

  No H/Q in entry =           4
  In of MODEL   26
    1    H    CYS   4           H        CYS   4 -10.430  10.718   1.721
    2    HA   CYS   4           HA       CYS   4 -10.828   8.996   0.287
    3    HB2  CYS   4           HB2      CYS   4  -9.932  11.150  -1.452
    4    HB3  CYS   4           HB3      CYS   4  -9.530   9.565  -2.099

  No H/Q in entry =           4
  In of MODEL   26
    1    H    THR   5           H        THR   5  -8.012   9.637   1.631
    2    HA   THR   5           HA       THR   5  -6.058   8.523   1.952
    3    HB   THR   5           HB       THR   5  -6.977   6.078   0.560
    4    HG1  THR   5           HG1      THR   5  -8.922   6.353   1.342
    5   HG22  THR   5          HG21      THR   5  -6.366   6.198   3.456
    6   HG21  THR   5          HG22      THR   5  -5.045   6.438   2.313
    7   HG23  THR   5          HG23      THR   5  -5.993   4.951   2.266

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR   6           H        THR   6  -4.468   9.363   0.752
    2    HA   THR   6           HA       THR   6  -4.287   8.568  -2.078
    3    HB   THR   6           HB       THR   6  -2.626  10.591  -2.094
    4    HG1  THR   6           HG1      THR   6  -2.917  12.050  -0.518
    5   HG22  THR   6          HG21      THR   6  -4.852  12.130  -1.993
    6   HG21  THR   6          HG22      THR   6  -5.542  10.536  -2.299
    7   HG23  THR   6          HG23      THR   6  -4.332  11.199  -3.398

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY   7           H        GLY   7  -2.693   7.242  -2.650
    2    HA3  GLY   7           HA2      GLY   7  -0.045   7.345  -1.924
    3    HA2  GLY   7           HA3      GLY   7  -0.798   6.314  -0.717

  No H/Q in entry =           3
  In of MODEL   26
    1    HA   PRO   8           HA       PRO   8   0.337   3.625  -4.306
    2    HB2  PRO   8           HB2      PRO   8   1.724   1.772  -2.949
    3    HB3  PRO   8           HB3      PRO   8   2.454   3.308  -3.434
    4    HG2  PRO   8           HG2      PRO   8   1.360   2.486  -0.772
    5    HG3  PRO   8           HG3      PRO   8   2.845   3.382  -1.143
    6    HD2  PRO   8           HD2      PRO   8   0.509   4.565  -0.329
    7    HD3  PRO   8           HD3      PRO   8   1.738   5.379  -1.317

  No H/Q in entry =           7
  In of MODEL   26
    1    H    CYS   9           H        CYS   9  -0.657   2.584  -1.048
    2    HA   CYS   9           HA       CYS   9  -2.021   0.263  -2.116
    3    HB2  CYS   9           HB2      CYS   9  -1.391   1.304   0.604
    4    HB3  CYS   9           HB3      CYS   9  -2.755   0.205   0.439

  No H/Q in entry =           4
  In of MODEL   26
    1    H    CYS  10           H        CYS  10  -3.203   2.236  -3.359
    2    HA   CYS  10           HA       CYS  10  -5.901   2.028  -2.723
    3    HB2  CYS  10           HB2      CYS  10  -6.400   4.350  -1.990
    4    HB3  CYS  10           HB3      CYS  10  -5.476   3.437  -0.804

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ARG  11           H        ARG  11  -7.005   2.420  -4.527
    2    HA   ARG  11           HA       ARG  11  -5.790   3.142  -6.913
    3    HB2  ARG  11           HB2      ARG  11  -8.127   2.033  -6.358
    4    HB3  ARG  11           HB3      ARG  11  -8.700   3.683  -6.556
    5    HG2  ARG  11           HG2      ARG  11  -8.961   2.639  -8.648
    6    HG3  ARG  11           HG3      ARG  11  -7.549   3.686  -8.800
    7    HD2  ARG  11           HD2      ARG  11  -7.004   0.931  -7.912
    8    HD3  ARG  11           HD3      ARG  11  -7.609   1.091  -9.560
    9    HE   ARG  11           HE       ARG  11  -5.510   2.933  -9.073
   10   HH11  ARG  11          HH11      ARG  11  -6.119  -0.448  -9.683
   11   HH12  ARG  11          HH12      ARG  11  -4.566  -0.728 -10.396
   12   HH21  ARG  11          HH21      ARG  11  -3.467   2.568 -10.011
   13   HH22  ARG  11          HH22      ARG  11  -3.060   0.984 -10.583

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  12           H        GLN  12  -7.629   5.110  -4.651
    2    HA   GLN  12           HA       GLN  12  -6.317   7.469  -4.924
    3    HB2  GLN  12           HB2      GLN  12  -7.997   6.951  -7.267
    4    HB3  GLN  12           HB3      GLN  12  -8.353   8.489  -6.492
    5    HG2  GLN  12           HG2      GLN  12  -6.374   9.401  -7.074
    6    HG3  GLN  12           HG3      GLN  12  -5.502   7.875  -6.934
    7   HE21  GLN  12          HE21      GLN  12  -5.049   9.594  -9.026
    8   HE22  GLN  12          HE22      GLN  12  -5.628   8.885 -10.491

  No H/Q in entry =           8
  In of MODEL   26
    1    H    CYS  13           H        CYS  13  -9.381   5.851  -4.623
    2    HA   CYS  13           HA       CYS  13 -10.080   7.680  -2.443
    3    HB2  CYS  13           HB2      CYS  13 -11.645   7.164  -4.907
    4    HB3  CYS  13           HB3      CYS  13 -12.548   7.220  -3.397

  No H/Q in entry =           4
  In of MODEL   26
    1    H    LYS  14           H        LYS  14  -9.262   4.672  -3.057
    2    HA   LYS  14           HA       LYS  14 -10.738   3.628  -0.825
    3    HB2  LYS  14           HB2      LYS  14 -11.352   2.783  -3.622
    4    HB3  LYS  14           HB3      LYS  14 -11.366   1.562  -2.357
    5    HG2  LYS  14           HG2      LYS  14 -12.895   3.298  -1.126
    6    HG3  LYS  14           HG3      LYS  14 -13.170   3.893  -2.765
    7    HD2  LYS  14           HD2      LYS  14 -14.825   2.344  -2.714
    8    HD3  LYS  14           HD3      LYS  14 -13.508   1.272  -3.194
    9    HE2  LYS  14           HE2      LYS  14 -14.360   1.751  -0.342
   10    HE3  LYS  14           HE3      LYS  14 -14.914   0.399  -1.329
   11    HZ1  LYS  14           HZ1      LYS  14 -12.428  -0.069  -1.630
   12    HZ3  LYS  14           HZ2      LYS  14 -13.140  -0.472  -0.150
   13    HZ2  LYS  14           HZ3      LYS  14 -12.208   0.933  -0.285

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  15           H        LEU  15  -9.547   2.150   0.242
    2    HA   LEU  15           HA       LEU  15  -6.880   1.747  -0.249
    3    HB2  LEU  15           HB2      LEU  15  -6.889   0.145   1.448
    4    HB3  LEU  15           HB3      LEU  15  -8.243   1.186   1.839
    5    HG   LEU  15           HG       LEU  15  -9.618  -0.623   0.505
    6   HD12  LEU  15          HD11      LEU  15  -8.299  -2.832   1.444
    7   HD11  LEU  15          HD12      LEU  15  -6.984  -1.836   0.819
    8   HD13  LEU  15          HD13      LEU  15  -8.326  -2.288  -0.233
    9   HD21  LEU  15          HD21      LEU  15  -9.358   0.023   3.103
   10   HD23  LEU  15          HD22      LEU  15  -8.793  -1.647   3.144
   11   HD22  LEU  15          HD23      LEU  15 -10.400  -1.275   2.520

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  16           H        LYS  16  -5.686   0.497  -1.558
    2    HA   LYS  16           HA       LYS  16  -6.894  -0.861  -3.713
    3    HB2  LYS  16           HB2      LYS  16  -4.145  -0.373  -2.759
    4    HB3  LYS  16           HB3      LYS  16  -4.347  -1.827  -3.726
    5    HG2  LYS  16           HG2      LYS  16  -5.667  -0.125  -5.287
    6    HG3  LYS  16           HG3      LYS  16  -4.575   1.017  -4.501
    7    HD2  LYS  16           HD2      LYS  16  -2.680  -0.491  -5.134
    8    HD3  LYS  16           HD3      LYS  16  -3.829  -1.442  -6.077
    9    HE2  LYS  16           HE2      LYS  16  -2.648   0.133  -7.503
   10    HE3  LYS  16           HE3      LYS  16  -4.362   0.538  -7.416
   11    HZ1  LYS  16           HZ1      LYS  16  -2.494   1.829  -5.553
   12    HZ3  LYS  16           HZ2      LYS  16  -3.951   2.410  -6.187
   13    HZ2  LYS  16           HZ3      LYS  16  -2.563   2.377  -7.153

  No H/Q in entry =          13
  In of MODEL   26
    1    HA   PRO  17           HA       PRO  17  -7.561  -4.968  -2.267
    2    HB2  PRO  17           HB2      PRO  17  -6.522  -6.509  -4.277
    3    HB3  PRO  17           HB3      PRO  17  -8.074  -5.672  -4.384
    4    HG2  PRO  17           HG2      PRO  17  -5.404  -4.860  -5.464
    5    HG3  PRO  17           HG3      PRO  17  -7.001  -4.754  -6.228
    6    HD2  PRO  17           HD2      PRO  17  -5.811  -2.610  -5.118
    7    HD3  PRO  17           HD3      PRO  17  -7.571  -2.838  -5.063

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  18           H        ALA  18  -6.581  -6.342  -0.895
    2    HA   ALA  18           HA       ALA  18  -3.999  -6.024   0.001
    3    HB3  ALA  18           HB1      ALA  18  -4.423  -7.741   1.425
    4    HB2  ALA  18           HB2      ALA  18  -5.113  -8.765   0.165
    5    HB1  ALA  18           HB3      ALA  18  -6.071  -7.460   0.864

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  19           H        GLY  19  -2.113  -7.411  -0.146
    2    HA3  GLY  19           HA2      GLY  19  -0.782  -9.040  -1.237
    3    HA2  GLY  19           HA3      GLY  19  -1.941  -9.067  -2.557

  No H/Q in entry =           3
  In of MODEL   26
    1    H    THR  20           H        THR  20  -1.802  -5.962  -2.324
    2    HA   THR  20           HA       THR  20  -0.143  -5.520  -4.518
    3    HB   THR  20           HB       THR  20  -0.319  -3.174  -2.822
    4    HG1  THR  20           HG1      THR  20  -2.754  -4.518  -3.367
    5   HG23  THR  20          HG21      THR  20  -0.211  -2.708  -5.076
    6   HG22  THR  20          HG22      THR  20  -1.927  -2.504  -4.724
    7   HG21  THR  20          HG23      THR  20  -1.355  -3.981  -5.501

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR  21           H        THR  21   1.691  -3.792  -4.380
    2    HA   THR  21           HA       THR  21   3.533  -4.552  -2.212
    3    HB   THR  21           HB       THR  21   5.006  -3.890  -4.577
    4    HG1  THR  21           HG1      THR  21   3.094  -4.616  -5.658
    5   HG22  THR  21          HG21      THR  21   5.834  -6.215  -4.362
    6   HG21  THR  21          HG22      THR  21   4.672  -6.461  -3.058
    7   HG23  THR  21          HG23      THR  21   5.958  -5.267  -2.880

  No H/Q in entry =           7
  In of MODEL   26
    1    H    CYS  22           H        CYS  22   4.559  -2.922  -1.216
    2    HA   CYS  22           HA       CYS  22   4.000  -0.208  -2.147
    3    HB2  CYS  22           HB2      CYS  22   3.625  -1.109   0.277
    4    HB3  CYS  22           HB3      CYS  22   5.357  -0.847   0.451

  No H/Q in entry =           4
  In of MODEL   26
    1    H    TRP  23           H        TRP  23   6.649  -2.412  -1.563
    2    HA   TRP  23           HA       TRP  23   8.413  -0.878  -3.196
    3    HB2  TRP  23           HB2      TRP  23   8.490   0.338  -0.972
    4    HB3  TRP  23           HB3      TRP  23   9.222  -1.114  -0.296
    5    HD1  TRP  23           HD1      TRP  23  10.082   0.504  -3.705
    6    HE1  TRP  23           HE1      TRP  23  12.582   1.115  -3.687
    7    HE3  TRP  23           HE3      TRP  23  11.191  -0.745   1.128
    8    HZ2  TRP  23           HZ2      TRP  23  14.739   1.074  -1.867
    9    HZ3  TRP  23           HZ3      TRP  23  13.496  -0.429   1.928
   10    HH2  TRP  23           HH2      TRP  23  15.232   0.462   0.461

  No H/Q in entry =          10
  In of MODEL   26
    1    H    ARG  24           H        ARG  24   8.378  -2.936  -4.243
    2    HA   ARG  24           HA       ARG  24   9.850  -5.061  -2.842
    3    HB2  ARG  24           HB2      ARG  24   8.989  -6.503  -4.747
    4    HB3  ARG  24           HB3      ARG  24   7.782  -5.911  -3.614
    5    HG2  ARG  24           HG2      ARG  24   6.809  -4.538  -5.147
    6    HG3  ARG  24           HG3      ARG  24   8.308  -4.295  -6.046
    7    HD2  ARG  24           HD2      ARG  24   6.889  -6.942  -5.992
    8    HD3  ARG  24           HD3      ARG  24   6.479  -5.687  -7.160
    9    HE   ARG  24           HE       ARG  24   9.281  -6.319  -7.080
   10   HH11  ARG  24          HH11      ARG  24   6.194  -7.182  -8.458
   11   HH12  ARG  24          HH12      ARG  24   6.887  -7.928  -9.859
   12   HH21  ARG  24          HH21      ARG  24  10.195  -7.299  -8.921
   13   HH22  ARG  24          HH22      ARG  24   9.158  -7.995 -10.122

  No H/Q in entry =          13
  In of MODEL   26
    1    H    THR  25           H        THR  25  11.971  -4.785  -3.194
    2    HA   THR  25           HA       THR  25  12.853  -4.378  -5.977
    3    HB   THR  25           HB       THR  25  14.504  -3.631  -3.577
    4    HG1  THR  25           HG1      THR  25  13.447  -1.827  -3.350
    5   HG21  THR  25          HG21      THR  25  14.560  -2.957  -6.482
    6   HG23  THR  25          HG22      THR  25  15.866  -3.506  -5.431
    7   HG22  THR  25          HG23      THR  25  15.255  -1.857  -5.292

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  26           H        SER  26  12.287  -6.899  -4.605
    2    HA   SER  26           HA       SER  26  13.169  -8.983  -4.378
    3    HB2  SER  26           HB2      SER  26  15.465  -7.872  -6.010
    4    HB3  SER  26           HB3      SER  26  15.050  -9.574  -5.805
    5    HG   SER  26           HG       SER  26  13.725  -7.578  -7.274

  No H/Q in entry =           5
  In of MODEL   26
    1    H    VAL  27           H        VAL  27  13.782  -6.949  -2.380
    2    HA   VAL  27           HA       VAL  27  16.221  -8.166  -1.271
    3    HB   VAL  27           HB       VAL  27  15.437  -5.283  -0.857
    4   HG12  VAL  27          HG11      VAL  27  18.142  -6.456  -0.363
    5   HG11  VAL  27          HG12      VAL  27  16.863  -6.646   0.837
    6   HG13  VAL  27          HG13      VAL  27  17.388  -5.032   0.356
    7   HG21  VAL  27          HG21      VAL  27  17.051  -6.578  -2.969
    8   HG23  VAL  27          HG22      VAL  27  17.713  -5.106  -2.257
    9   HG22  VAL  27          HG23      VAL  27  16.118  -5.082  -3.009

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  28           H        SER  28  13.227  -6.427  -0.553
    2    HA   SER  28           HA       SER  28  13.179  -7.737   2.085
    3    HB2  SER  28           HB2      SER  28  11.795  -5.882   2.874
    4    HB3  SER  28           HB3      SER  28  13.306  -5.270   2.200
    5    HG   SER  28           HG       SER  28  12.232  -4.314   0.653

  No H/Q in entry =           5
  In of MODEL   26
    1    H    SER  29           H        SER  29  11.307  -6.893  -0.767
    2    HA   SER  29           HA       SER  29   9.367  -7.709  -1.629
    3    HB2  SER  29           HB2      SER  29  10.430  -9.989  -0.031
    4    HB3  SER  29           HB3      SER  29   8.767 -10.101  -0.609
    5    HG   SER  29           HG       SER  29   9.725  -9.510  -2.728

  No H/Q in entry =           5
  In of MODEL   26
    1    H    HIS  30           H        HIS  30   8.265  -5.960  -0.526
    2    HA   HIS  30           HA       HIS  30   6.857  -6.654   1.930
    3    HB2  HIS  30           HB2      HIS  30   7.085  -4.096   0.346
    4    HB3  HIS  30           HB3      HIS  30   6.009  -4.267   1.728
    5    HD1  HIS  30           HD1      HIS  30   7.304  -2.529   3.113
    6    HD2  HIS  30           HD2      HIS  30   9.599  -5.782   1.922
    7    HE1  HIS  30           HE1      HIS  30   9.427  -2.381   4.453
    8    HE2  HIS  30           HE2      HIS  30  10.835  -4.310   3.653

  No H/Q in entry =           8
  In of MODEL   26
    1    H    TYR  31           H        TYR  31   4.512  -6.148   2.077
    2    HA   TYR  31           HA       TYR  31   3.061  -6.457  -0.445
    3    HB2  TYR  31           HB2      TYR  31   3.013  -8.368   1.868
    4    HB3  TYR  31           HB3      TYR  31   1.579  -8.163   0.867
    5    HD1  TYR  31           HD1      TYR  31   2.715  -7.869  -1.815
    6    HD2  TYR  31           HD2      TYR  31   3.855 -10.471   1.352
    7    HE1  TYR  31           HE1      TYR  31   3.632  -9.454  -3.455
    8    HE2  TYR  31           HE2      TYR  31   4.775 -12.064  -0.280
    9    HH   TYR  31           HH       TYR  31   5.723 -11.626  -2.946

  No H/Q in entry =           9
  In of MODEL   26
    1    H    CYS  32           H        CYS  32   0.850  -5.828  -0.344
    2    HA   CYS  32           HA       CYS  32   0.376  -3.745   1.598
    3    HB2  CYS  32           HB2      CYS  32  -0.163  -3.587  -0.883
    4    HB3  CYS  32           HB3      CYS  32  -1.513  -4.670  -0.565

  No H/Q in entry =           4
  In of MODEL   26
    1    H    THR  33           H        THR  33  -0.951  -3.818   3.302
    2    HA   THR  33           HA       THR  33  -1.932  -6.310   4.239
    3    HB   THR  33           HB       THR  33  -1.194  -4.524   5.753
    4    HG1  THR  33           HG1      THR  33  -3.022  -4.625   7.166
    5   HG21  THR  33          HG21      THR  33  -2.987  -2.909   4.236
    6   HG23  THR  33          HG22      THR  33  -1.832  -2.430   5.480
    7   HG22  THR  33          HG23      THR  33  -3.472  -2.897   5.932

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY  34           H        GLY  34  -3.217  -4.082   2.037
    2    HA3  GLY  34           HA2      GLY  34  -5.261  -3.918   1.008
    3    HA2  GLY  34           HA3      GLY  34  -5.559  -5.552   1.583

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ARG  35           H        ARG  35  -4.923  -2.889   3.754
    2    HA   ARG  35           HA       ARG  35  -7.750  -2.949   4.580
    3    HB2  ARG  35           HB2      ARG  35  -5.920  -3.969   6.133
    4    HB3  ARG  35           HB3      ARG  35  -5.535  -2.290   6.489
    5    HG2  ARG  35           HG2      ARG  35  -8.377  -3.084   6.688
    6    HG3  ARG  35           HG3      ARG  35  -7.274  -3.708   7.916
    7    HD2  ARG  35           HD2      ARG  35  -6.610  -1.500   8.541
    8    HD3  ARG  35           HD3      ARG  35  -7.475  -0.795   7.176
    9    HE   ARG  35           HE       ARG  35  -9.399  -2.103   8.603
   10   HH11  ARG  35          HH11      ARG  35  -7.041   0.360   9.343
   11   HH12  ARG  35          HH12      ARG  35  -8.016   1.101  10.568
   12   HH21  ARG  35          HH21      ARG  35 -10.682  -1.130  10.213
   13   HH22  ARG  35          HH22      ARG  35 -10.083   0.255  11.062

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  36           H        SER  36  -4.840  -1.001   4.235
    2    HA   SER  36           HA       SER  36  -6.445   1.349   3.737
    3    HB2  SER  36           HB2      SER  36  -4.373   1.596   5.906
    4    HB3  SER  36           HB3      SER  36  -5.693   2.696   5.508
    5    HG   SER  36           HG       SER  36  -6.181   1.500   7.370

  No H/Q in entry =           5
  In of MODEL   26
    1    H    CYS  37           H        CYS  37  -5.144   3.169   2.956
    2    HA   CYS  37           HA       CYS  37  -3.069   2.260   1.222
    3    HB2  CYS  37           HB2      CYS  37  -4.786   4.187   0.870
    4    HB3  CYS  37           HB3      CYS  37  -3.614   5.164   1.747

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLU  38           H        GLU  38  -3.151   3.705   4.367
    2    HA   GLU  38           HA       GLU  38  -0.610   4.866   4.472
    3    HB2  GLU  38           HB2      GLU  38  -2.532   3.802   6.480
    4    HB3  GLU  38           HB3      GLU  38  -0.880   4.087   7.010
    5    HG2  GLU  38           HG2      GLU  38  -2.605   6.155   5.670
    6    HG3  GLU  38           HG3      GLU  38  -2.433   5.980   7.416

  No H/Q in entry =           6
  In of MODEL   26
    1    H    CYS  39           H        CYS  39   0.857   3.533   3.380
    2    HA   CYS  39           HA       CYS  39   1.309   0.829   3.819
    3    HB2  CYS  39           HB2      CYS  39   2.875   3.078   2.700
    4    HB3  CYS  39           HB3      CYS  39   3.801   1.668   3.204

  No H/Q in entry =           4
  In of MODEL   26
    1    HA   PRO  40           HA       PRO  40   2.819   1.233   8.068
    2    HB2  PRO  40           HB2      PRO  40   2.832  -1.425   8.606
    3    HB3  PRO  40           HB3      PRO  40   1.360  -0.448   8.644
    4    HG2  PRO  40           HG2      PRO  40   2.385  -2.247   6.480
    5    HG3  PRO  40           HG3      PRO  40   0.734  -2.077   7.105
    6    HD2  PRO  40           HD2      PRO  40   1.548  -0.902   4.806
    7    HD3  PRO  40           HD3      PRO  40   0.328  -0.174   5.870

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  41           H        SER  41   4.610  -0.019   9.284
    2    HA   SER  41           HA       SER  41   6.905  -0.221   7.469
    3    HB2  SER  41           HB2      SER  41   7.207   1.421   9.209
    4    HB3  SER  41           HB3      SER  41   6.742   0.259  10.452
    5    HG   SER  41           HG       SER  41   8.824  -0.058  10.552

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  42           H        TYR  42   5.182  -2.411   7.524
    2    HA   TYR  42           HA       TYR  42   6.619  -4.407   9.132
    3    HB2  TYR  42           HB2      TYR  42   3.896  -4.447   7.831
    4    HB3  TYR  42           HB3      TYR  42   4.652  -5.889   8.502
    5    HD1  TYR  42           HD1      TYR  42   5.720  -5.265  10.997
    6    HD2  TYR  42           HD2      TYR  42   2.261  -3.573   9.188
    7    HE1  TYR  42           HE1      TYR  42   4.843  -4.693  13.222
    8    HE2  TYR  42           HE2      TYR  42   1.375  -2.995  11.408
    9    HH   TYR  42           HH       TYR  42   3.277  -3.167  14.248

  No H/Q in entry =           9
  In of MODEL   26
    1    HA   PRO  43           HA       PRO  43   8.338  -5.152   4.933
    2    HB2  PRO  43           HB2      PRO  43  10.700  -6.151   5.827
    3    HB3  PRO  43           HB3      PRO  43  10.396  -4.420   5.645
    4    HG2  PRO  43           HG2      PRO  43  10.287  -6.112   8.112
    5    HG3  PRO  43           HG3      PRO  43  10.984  -4.496   7.894
    6    HD2  PRO  43           HD2      PRO  43   8.556  -4.888   9.018
    7    HD3  PRO  43           HD3      PRO  43   8.931  -3.453   8.042

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY  44           H        GLY  44   7.423  -6.901   4.044
    2    HA3  GLY  44           HA2      GLY  44   7.012  -9.110   3.562
    3    HA2  GLY  44           HA3      GLY  44   8.362  -9.511   4.613

  No H/Q in entry =           3
  In of MODEL   27
    1    H1   ALA   1           H1       ALA   1 -13.429  13.568   5.520
    2    H2   ALA   1           H3       ALA   1 -14.186  14.682   6.580
    3    H3   ALA   1           H2       ALA   1 -15.118  13.849   5.404
    4    HA   ALA   1           HA       ALA   1 -14.863  15.913   4.521
    5    HB2  ALA   1           HB1      ALA   1 -13.130  17.327   4.885
    6    HB3  ALA   1           HB2      ALA   1 -11.922  16.045   4.816
    7    HB1  ALA   1           HB3      ALA   1 -12.884  16.271   6.276

  No H/Q in entry =           7
  In of MODEL   27
    1    H    MET   2           H        MET   2 -14.606  13.163   3.588
    2    HA   MET   2           HA       MET   2 -14.165  12.026   1.669
    3    HB2  MET   2           HB2      MET   2 -15.159  14.084   0.669
    4    HB3  MET   2           HB3      MET   2 -13.539  14.750   0.518
    5    HG2  MET   2           HG2      MET   2 -12.954  13.312  -1.172
    6    HG3  MET   2           HG3      MET   2 -14.141  12.099  -0.697
    7    HE1  MET   2           HE1      MET   2 -13.890  12.161  -3.278
    8    HE3  MET   2           HE2      MET   2 -14.896  13.151  -4.335
    9    HE2  MET   2           HE3      MET   2 -15.629  11.877  -3.360

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP   3           H        ASP   3 -12.315  11.098   2.754
    2    HA   ASP   3           HA       ASP   3  -9.713  12.221   2.046
    3    HB2  ASP   3           HB2      ASP   3  -8.829  10.415   3.545
    4    HB3  ASP   3           HB3      ASP   3  -9.916  11.547   4.345

  No H/Q in entry =           4
  In of MODEL   27
    1    H    CYS   4           H        CYS   4  -8.517  11.467   0.424
    2    HA   CYS   4           HA       CYS   4  -9.369   8.975  -0.882
    3    HB2  CYS   4           HB2      CYS   4  -8.332  11.555  -1.868
    4    HB3  CYS   4           HB3      CYS   4  -7.667  10.133  -2.665

  No H/Q in entry =           4
  In of MODEL   27
    1    H    THR   5           H        THR   5  -6.625  10.669   0.488
    2    HA   THR   5           HA       THR   5  -4.569   9.962   1.156
    3    HB   THR   5           HB       THR   5  -4.989   7.090   0.756
    4    HG1  THR   5           HG1      THR   5  -6.983   7.065   1.371
    5   HG21  THR   5          HG21      THR   5  -3.310   8.130   2.289
    6   HG23  THR   5          HG22      THR   5  -4.345   6.905   3.024
    7   HG22  THR   5          HG23      THR   5  -4.655   8.616   3.320

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR   6           H        THR   6  -2.640   9.772   0.145
    2    HA   THR   6           HA       THR   6  -2.639   8.576  -2.548
    3    HB   THR   6           HB       THR   6  -0.658  10.694  -2.085
    4    HG1  THR   6           HG1      THR   6  -2.241  11.775  -1.039
    5   HG23  THR   6          HG21      THR   6  -0.766  10.157  -4.296
    6   HG22  THR   6          HG22      THR   6  -1.894  11.511  -4.245
    7   HG21  THR   6          HG23      THR   6  -2.503   9.856  -4.255

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY   7           H        GLY   7  -1.036   7.179  -3.016
    2    HA3  GLY   7           HA2      GLY   7   1.542   7.068  -2.158
    3    HA2  GLY   7           HA3      GLY   7   0.652   6.290  -0.858

  No H/Q in entry =           3
  In of MODEL   27
    1    HA   PRO   8           HA       PRO   8   1.577   3.045  -4.022
    2    HB2  PRO   8           HB2      PRO   8   2.766   1.270  -2.400
    3    HB3  PRO   8           HB3      PRO   8   3.644   2.653  -3.064
    4    HG2  PRO   8           HG2      PRO   8   2.457   2.292  -0.342
    5    HG3  PRO   8           HG3      PRO   8   4.015   3.003  -0.798
    6    HD2  PRO   8           HD2      PRO   8   1.770   4.468  -0.195
    7    HD3  PRO   8           HD3      PRO   8   3.088   5.048  -1.231

  No H/Q in entry =           7
  In of MODEL   27
    1    H    CYS   9           H        CYS   9   0.504   2.496  -0.667
    2    HA   CYS   9           HA       CYS   9  -0.875   0.100  -1.157
    3    HB2  CYS   9           HB2      CYS   9  -0.654   2.029   1.033
    4    HB3  CYS   9           HB3      CYS   9  -2.224   1.237   0.961

  No H/Q in entry =           4
  In of MODEL   27
    1    H    CYS  10           H        CYS  10  -1.769   3.423  -1.661
    2    HA   CYS  10           HA       CYS  10  -4.489   2.568  -2.396
    3    HB2  CYS  10           HB2      CYS  10  -5.197   4.873  -2.046
    4    HB3  CYS  10           HB3      CYS  10  -4.407   4.255  -0.600

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ARG  11           H        ARG  11  -5.086   2.675  -4.463
    2    HA   ARG  11           HA       ARG  11  -3.268   3.182  -6.514
    3    HB2  ARG  11           HB2      ARG  11  -6.166   2.648  -6.331
    4    HB3  ARG  11           HB3      ARG  11  -5.639   3.458  -7.799
    5    HG2  ARG  11           HG2      ARG  11  -4.539   1.643  -8.573
    6    HG3  ARG  11           HG3      ARG  11  -4.066   1.105  -6.960
    7    HD2  ARG  11           HD2      ARG  11  -5.593  -0.513  -7.623
    8    HD3  ARG  11           HD3      ARG  11  -6.573   0.581  -6.648
    9    HE   ARG  11           HE       ARG  11  -7.764   1.139  -8.524
   10   HH11  ARG  11          HH11      ARG  11  -4.849  -0.525  -9.481
   11   HH12  ARG  11          HH12      ARG  11  -5.322  -0.659 -11.141
   12   HH21  ARG  11          HH21      ARG  11  -8.387   0.963 -10.707
   13   HH22  ARG  11          HH22      ARG  11  -7.330   0.186 -11.838

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  12           H        GLN  12  -6.270   4.991  -6.691
    2    HA   GLN  12           HA       GLN  12  -4.696   7.476  -6.832
    3    HB2  GLN  12           HB2      GLN  12  -5.855   6.363  -8.983
    4    HB3  GLN  12           HB3      GLN  12  -7.218   7.298  -8.383
    5    HG2  GLN  12           HG2      GLN  12  -6.285   9.269  -8.933
    6    HG3  GLN  12           HG3      GLN  12  -4.653   8.732  -8.535
    7   HE21  GLN  12          HE21      GLN  12  -4.469  10.084 -10.617
    8   HE22  GLN  12          HE22      GLN  12  -4.480   9.182 -12.090

  No H/Q in entry =           8
  In of MODEL   27
    1    H    CYS  13           H        CYS  13  -7.410   5.844  -5.504
    2    HA   CYS  13           HA       CYS  13  -7.932   7.931  -3.666
    3    HB2  CYS  13           HB2      CYS  13  -9.501   7.883  -6.149
    4    HB3  CYS  13           HB3      CYS  13 -10.479   7.919  -4.686

  No H/Q in entry =           4
  In of MODEL   27
    1    H    LYS  14           H        LYS  14  -7.487   5.011  -3.787
    2    HA   LYS  14           HA       LYS  14  -9.347   4.256  -1.788
    3    HB2  LYS  14           HB2      LYS  14 -10.807   4.021  -3.776
    4    HB3  LYS  14           HB3      LYS  14  -9.662   2.875  -4.459
    5    HG2  LYS  14           HG2      LYS  14 -10.225   1.215  -2.975
    6    HG3  LYS  14           HG3      LYS  14 -10.806   2.354  -1.758
    7    HD2  LYS  14           HD2      LYS  14 -12.758   2.847  -3.135
    8    HD3  LYS  14           HD3      LYS  14 -12.169   1.743  -4.380
    9    HE2  LYS  14           HE2      LYS  14 -12.761  -0.109  -3.210
   10    HE3  LYS  14           HE3      LYS  14 -12.432   0.642  -1.649
   11    HZ1  LYS  14           HZ1      LYS  14 -14.515   2.048  -2.265
   12    HZ3  LYS  14           HZ2      LYS  14 -14.702   0.497  -1.619
   13    HZ2  LYS  14           HZ3      LYS  14 -14.869   0.744  -3.283

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  15           H        LEU  15  -8.230   2.977  -0.483
    2    HA   LEU  15           HA       LEU  15  -5.695   2.026  -0.908
    3    HB2  LEU  15           HB2      LEU  15  -6.393   0.236   0.868
    4    HB3  LEU  15           HB3      LEU  15  -6.291   1.931   1.302
    5    HG   LEU  15           HG       LEU  15  -8.944   1.065   0.365
    6   HD13  LEU  15          HD11      LEU  15  -8.955  -0.827   1.571
    7   HD12  LEU  15          HD12      LEU  15  -9.146   0.262   2.944
    8   HD11  LEU  15          HD13      LEU  15  -7.548  -0.353   2.521
    9   HD21  LEU  15          HD21      LEU  15  -7.962   3.250   1.599
   10   HD23  LEU  15          HD22      LEU  15  -8.528   2.329   2.993
   11   HD22  LEU  15          HD23      LEU  15  -9.649   2.743   1.695

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  16           H        LYS  16  -4.934   0.667  -2.374
    2    HA   LYS  16           HA       LYS  16  -6.332  -0.915  -4.099
    3    HB2  LYS  16           HB2      LYS  16  -3.537  -0.945  -3.090
    4    HB3  LYS  16           HB3      LYS  16  -4.080  -2.366  -3.970
    5    HG2  LYS  16           HG2      LYS  16  -4.773  -0.849  -5.830
    6    HG3  LYS  16           HG3      LYS  16  -3.996   0.473  -4.958
    7    HD2  LYS  16           HD2      LYS  16  -2.072  -1.514  -4.985
    8    HD3  LYS  16           HD3      LYS  16  -2.821  -1.638  -6.578
    9    HE2  LYS  16           HE2      LYS  16  -2.261   1.105  -5.711
   10    HE3  LYS  16           HE3      LYS  16  -0.827   0.099  -5.912
   11    HZ1  LYS  16           HZ1      LYS  16  -2.796  -0.049  -8.043
   12    HZ3  LYS  16           HZ2      LYS  16  -1.107  -0.012  -8.129
   13    HZ2  LYS  16           HZ3      LYS  16  -1.973   1.423  -7.904

  No H/Q in entry =          13
  In of MODEL   27
    1    HA   PRO  17           HA       PRO  17  -7.864  -4.581  -2.209
    2    HB2  PRO  17           HB2      PRO  17  -6.625  -6.599  -3.663
    3    HB3  PRO  17           HB3      PRO  17  -8.099  -5.754  -4.142
    4    HG2  PRO  17           HG2      PRO  17  -5.278  -5.288  -5.006
    5    HG3  PRO  17           HG3      PRO  17  -6.772  -5.217  -5.959
    6    HD2  PRO  17           HD2      PRO  17  -5.539  -2.987  -5.138
    7    HD3  PRO  17           HD3      PRO  17  -7.311  -3.095  -5.184

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  18           H        ALA  18  -7.379  -5.766  -0.448
    2    HA   ALA  18           HA       ALA  18  -4.948  -5.550   0.866
    3    HB1  ALA  18           HB1      ALA  18  -6.570  -6.157   2.331
    4    HB2  ALA  18           HB2      ALA  18  -5.895  -7.758   2.027
    5    HB3  ALA  18           HB3      ALA  18  -7.356  -7.243   1.185

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  19           H        GLY  19  -3.021  -6.375   0.422
    2    HA3  GLY  19           HA2      GLY  19  -1.720  -8.460   0.287
    3    HA2  GLY  19           HA3      GLY  19  -2.902  -9.024  -0.884

  No H/Q in entry =           3
  In of MODEL   27
    1    H    THR  20           H        THR  20  -2.137  -5.731  -1.238
    2    HA   THR  20           HA       THR  20  -0.651  -6.330  -3.671
    3    HB   THR  20           HB       THR  20  -1.558  -3.626  -2.678
    4    HG1  THR  20           HG1      THR  20  -3.315  -5.124  -2.899
    5   HG22  THR  20          HG21      THR  20  -1.762  -3.460  -5.318
    6   HG21  THR  20          HG22      THR  20  -0.451  -4.637  -5.223
    7   HG23  THR  20          HG23      THR  20  -0.279  -3.061  -4.451

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR  21           H        THR  21   1.489  -6.352  -3.671
    2    HA   THR  21           HA       THR  21   3.143  -5.785  -1.546
    3    HB   THR  21           HB       THR  21   4.048  -7.061  -3.309
    4    HG1  THR  21           HG1      THR  21   5.894  -6.141  -3.038
    5   HG22  THR  21          HG21      THR  21   4.361  -5.156  -5.419
    6   HG21  THR  21          HG22      THR  21   2.654  -5.345  -5.018
    7   HG23  THR  21          HG23      THR  21   3.620  -6.756  -5.452

  No H/Q in entry =           7
  In of MODEL   27
    1    H    CYS  22           H        CYS  22   4.253  -4.045  -0.792
    2    HA   CYS  22           HA       CYS  22   3.606  -1.448  -2.025
    3    HB2  CYS  22           HB2      CYS  22   2.641  -1.709   0.207
    4    HB3  CYS  22           HB3      CYS  22   4.227  -2.096   0.865

  No H/Q in entry =           4
  In of MODEL   27
    1    H    TRP  23           H        TRP  23   5.319  -1.003  -3.302
    2    HA   TRP  23           HA       TRP  23   7.432  -0.438  -3.923
    3    HB2  TRP  23           HB2      TRP  23   7.261   1.096  -1.998
    4    HB3  TRP  23           HB3      TRP  23   7.881  -0.169  -0.942
    5    HD1  TRP  23           HD1      TRP  23   9.040   1.983  -3.942
    6    HE1  TRP  23           HE1      TRP  23  11.594   2.258  -3.786
    7    HE3  TRP  23           HE3      TRP  23   9.938  -1.048   0.076
    8    HZ2  TRP  23           HZ2      TRP  23  13.710   1.314  -2.173
    9    HZ3  TRP  23           HZ3      TRP  23  12.255  -1.308   0.862
   10    HH2  TRP  23           HH2      TRP  23  14.101  -0.151  -0.240

  No H/Q in entry =          10
  In of MODEL   27
    1    H    ARG  24           H        ARG  24   8.110  -2.348  -4.819
    2    HA   ARG  24           HA       ARG  24   9.615  -4.164  -3.052
    3    HB2  ARG  24           HB2      ARG  24   9.169  -5.939  -4.674
    4    HB3  ARG  24           HB3      ARG  24   7.669  -5.235  -4.088
    5    HG2  ARG  24           HG2      ARG  24   7.150  -5.247  -6.276
    6    HG3  ARG  24           HG3      ARG  24   8.043  -3.725  -6.270
    7    HD2  ARG  24           HD2      ARG  24   9.125  -4.738  -7.989
    8    HD3  ARG  24           HD3      ARG  24  10.086  -5.386  -6.660
    9    HE   ARG  24           HE       ARG  24   8.108  -7.213  -6.953
   10   HH11  ARG  24          HH11      ARG  24  10.390  -5.774  -9.168
   11   HH12  ARG  24          HH12      ARG  24  10.462  -7.167 -10.194
   12   HH21  ARG  24          HH21      ARG  24   8.203  -9.046  -8.302
   13   HH22  ARG  24          HH22      ARG  24   9.220  -9.024  -9.703

  No H/Q in entry =          13
  In of MODEL   27
    1    H    THR  25           H        THR  25  11.736  -4.336  -3.374
    2    HA   THR  25           HA       THR  25  12.920  -2.952  -5.648
    3    HB   THR  25           HB       THR  25  15.074  -3.680  -4.297
    4    HG1  THR  25           HG1      THR  25  14.646  -3.912  -2.116
    5   HG21  THR  25          HG21      THR  25  13.278  -1.413  -4.033
    6   HG23  THR  25          HG22      THR  25  15.038  -1.466  -4.128
    7   HG22  THR  25          HG23      THR  25  14.230  -1.720  -2.581

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  26           H        SER  26  14.054  -5.865  -3.996
    2    HA   SER  26           HA       SER  26  13.573  -7.684  -6.073
    3    HB2  SER  26           HB2      SER  26  15.447  -5.980  -6.951
    4    HB3  SER  26           HB3      SER  26  16.491  -7.105  -6.083
    5    HG   SER  26           HG       SER  26  15.498  -7.405  -8.484

  No H/Q in entry =           5
  In of MODEL   27
    1    H    VAL  27           H        VAL  27  13.450  -7.615  -3.247
    2    HA   VAL  27           HA       VAL  27  14.513 -10.120  -2.599
    3    HB   VAL  27           HB       VAL  27  16.680  -8.964  -2.601
    4   HG12  VAL  27          HG11      VAL  27  15.632  -7.318  -0.307
    5   HG11  VAL  27          HG12      VAL  27  15.738  -6.730  -1.966
    6   HG13  VAL  27          HG13      VAL  27  17.203  -7.191  -1.099
    7   HG22  VAL  27          HG21      VAL  27  16.378 -10.844  -1.101
    8   HG21  VAL  27          HG22      VAL  27  15.722  -9.778   0.142
    9   HG23  VAL  27          HG23      VAL  27  17.410  -9.630  -0.345

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  28           H        SER  28  13.543  -6.963  -1.376
    2    HA   SER  28           HA       SER  28  12.555  -8.026   1.110
    3    HB2  SER  28           HB2      SER  28  11.742  -5.727   1.506
    4    HB3  SER  28           HB3      SER  28  13.440  -5.747   1.030
    5    HG   SER  28           HG       SER  28  12.839  -5.108  -1.031

  No H/Q in entry =           5
  In of MODEL   27
    1    H    SER  29           H        SER  29  10.768  -5.992  -1.164
    2    HA   SER  29           HA       SER  29   8.635  -6.082  -1.949
    3    HB2  SER  29           HB2      SER  29   9.183  -8.008  -3.196
    4    HB3  SER  29           HB3      SER  29   9.294  -9.016  -1.754
    5    HG   SER  29           HG       SER  29   7.214  -9.339  -1.829

  No H/Q in entry =           5
  In of MODEL   27
    1    H    HIS  30           H        HIS  30   7.215  -5.209  -0.586
    2    HA   HIS  30           HA       HIS  30   6.540  -6.581   1.899
    3    HB2  HIS  30           HB2      HIS  30   5.552  -3.889   0.947
    4    HB3  HIS  30           HB3      HIS  30   5.511  -4.525   2.588
    5    HD1  HIS  30           HD1      HIS  30   6.799  -1.912   2.457
    6    HD2  HIS  30           HD2      HIS  30   8.926  -5.384   1.625
    7    HE1  HIS  30           HE1      HIS  30   9.217  -1.318   2.805
    8    HE2  HIS  30           HE2      HIS  30  10.478  -3.458   2.382

  No H/Q in entry =           8
  In of MODEL   27
    1    H    TYR  31           H        TYR  31   3.973  -5.759   2.347
    2    HA   TYR  31           HA       TYR  31   2.310  -6.532   0.104
    3    HB2  TYR  31           HB2      TYR  31   2.831  -8.309   2.439
    4    HB3  TYR  31           HB3      TYR  31   1.188  -8.242   1.808
    5    HD1  TYR  31           HD1      TYR  31   4.013 -10.132   1.694
    6    HD2  TYR  31           HD2      TYR  31   1.291  -8.241  -0.973
    7    HE1  TYR  31           HE1      TYR  31   4.632 -11.736  -0.064
    8    HE2  TYR  31           HE2      TYR  31   1.901  -9.840  -2.739
    9    HH   TYR  31           HH       TYR  31   2.857 -12.068  -2.956

  No H/Q in entry =           9
  In of MODEL   27
    1    H    CYS  32           H        CYS  32   0.822  -4.987   0.123
    2    HA   CYS  32           HA       CYS  32   0.136  -3.466   2.404
    3    HB2  CYS  32           HB2      CYS  32  -0.059  -2.747  -0.019
    4    HB3  CYS  32           HB3      CYS  32  -1.517  -3.730  -0.109

  No H/Q in entry =           4
  In of MODEL   27
    1    H    THR  33           H        THR  33  -1.663  -3.496   3.717
    2    HA   THR  33           HA       THR  33  -3.012  -6.069   3.902
    3    HB   THR  33           HB       THR  33  -2.166  -5.289   5.977
    4    HG1  THR  33           HG1      THR  33  -4.910  -4.593   6.009
    5   HG22  THR  33          HG21      THR  33  -3.310  -3.043   6.833
    6   HG21  THR  33          HG22      THR  33  -3.203  -2.667   5.113
    7   HG23  THR  33          HG23      THR  33  -1.746  -3.076   6.020

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY  34           H        GLY  34  -3.604  -3.595   2.008
    2    HA3  GLY  34           HA2      GLY  34  -5.464  -2.616   1.079
    3    HA2  GLY  34           HA3      GLY  34  -6.242  -4.146   1.452

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ARG  35           H        ARG  35  -4.975  -2.077   3.960
    2    HA   ARG  35           HA       ARG  35  -7.721  -1.641   4.899
    3    HB2  ARG  35           HB2      ARG  35  -5.066  -1.827   6.264
    4    HB3  ARG  35           HB3      ARG  35  -6.360  -0.918   7.031
    5    HG2  ARG  35           HG2      ARG  35  -7.015  -3.637   6.066
    6    HG3  ARG  35           HG3      ARG  35  -5.960  -3.506   7.475
    7    HD2  ARG  35           HD2      ARG  35  -7.599  -2.646   8.793
    8    HD3  ARG  35           HD3      ARG  35  -8.391  -1.816   7.453
    9    HE   ARG  35           HE       ARG  35  -8.833  -4.445   6.936
   10   HH11  ARG  35          HH11      ARG  35  -9.400  -2.398   9.705
   11   HH12  ARG  35          HH12      ARG  35 -10.783  -3.292  10.240
   12   HH21  ARG  35          HH21      ARG  35 -10.652  -5.622   7.638
   13   HH22  ARG  35          HH22      ARG  35 -11.494  -5.122   9.067

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  36           H        SER  36  -4.739   0.024   4.088
    2    HA   SER  36           HA       SER  36  -6.125   2.448   3.524
    3    HB2  SER  36           HB2      SER  36  -4.718   2.159   6.132
    4    HB3  SER  36           HB3      SER  36  -4.518   3.683   5.267
    5    HG   SER  36           HG       SER  36  -6.774   2.595   6.468

  No H/Q in entry =           5
  In of MODEL   27
    1    H    CYS  37           H        CYS  37  -4.477   4.261   3.047
    2    HA   CYS  37           HA       CYS  37  -2.548   3.181   1.231
    3    HB2  CYS  37           HB2      CYS  37  -3.927   5.344   0.979
    4    HB3  CYS  37           HB3      CYS  37  -2.721   6.076   2.032

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLU  38           H        GLU  38  -2.471   4.373   4.485
    2    HA   GLU  38           HA       GLU  38   0.213   5.114   4.706
    3    HB2  GLU  38           HB2      GLU  38  -1.437   3.778   6.855
    4    HB3  GLU  38           HB3      GLU  38  -0.049   4.832   7.087
    5    HG2  GLU  38           HG2      GLU  38  -1.663   6.462   5.673
    6    HG3  GLU  38           HG3      GLU  38  -2.858   5.491   6.531

  No H/Q in entry =           6
  In of MODEL   27
    1    H    CYS  39           H        CYS  39   1.475   3.657   3.517
    2    HA   CYS  39           HA       CYS  39   1.500   0.878   3.826
    3    HB2  CYS  39           HB2      CYS  39   2.596   2.155   1.977
    4    HB3  CYS  39           HB3      CYS  39   3.857   2.631   3.109

  No H/Q in entry =           4
  In of MODEL   27
    1    HA   PRO  40           HA       PRO  40   2.972   0.764   8.104
    2    HB2  PRO  40           HB2      PRO  40   3.281  -2.094   7.319
    3    HB3  PRO  40           HB3      PRO  40   2.517  -1.397   8.752
    4    HG2  PRO  40           HG2      PRO  40   1.036  -2.370   6.768
    5    HG3  PRO  40           HG3      PRO  40   0.554  -0.892   7.622
    6    HD2  PRO  40           HD2      PRO  40   1.776  -1.208   4.917
    7    HD3  PRO  40           HD3      PRO  40   0.564  -0.039   5.480

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  41           H        SER  41   4.927  -0.398   9.137
    2    HA   SER  41           HA       SER  41   7.196  -0.381   7.259
    3    HB2  SER  41           HB2      SER  41   7.668   0.501  10.061
    4    HB3  SER  41           HB3      SER  41   8.431   1.040   8.566
    5    HG   SER  41           HG       SER  41   6.779   2.398   8.191

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  42           H        TYR  42   6.465  -2.751   7.434
    2    HA   TYR  42           HA       TYR  42   8.187  -4.028   9.423
    3    HB2  TYR  42           HB2      TYR  42   6.488  -5.703   9.967
    4    HB3  TYR  42           HB3      TYR  42   5.917  -4.087  10.369
    5    HD1  TYR  42           HD1      TYR  42   3.846  -3.364   9.588
    6    HD2  TYR  42           HD2      TYR  42   5.738  -6.665   7.684
    7    HE1  TYR  42           HE1      TYR  42   1.822  -3.742   8.244
    8    HE2  TYR  42           HE2      TYR  42   3.720  -7.051   6.334
    9    HH   TYR  42           HH       TYR  42   0.921  -6.217   6.928

  No H/Q in entry =           9
  In of MODEL   27
    1    HA   PRO  43           HA       PRO  43   9.706  -6.491   6.107
    2    HB2  PRO  43           HB2      PRO  43   9.335  -8.819   7.931
    3    HB3  PRO  43           HB3      PRO  43  10.773  -8.303   7.043
    4    HG2  PRO  43           HG2      PRO  43  10.579  -7.885   9.664
    5    HG3  PRO  43           HG3      PRO  43  11.312  -6.670   8.600
    6    HD2  PRO  43           HD2      PRO  43   8.617  -6.691   9.882
    7    HD3  PRO  43           HD3      PRO  43   9.705  -5.326   9.562

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY  44           H        GLY  44   8.639  -7.184   4.367
    2    HA3  GLY  44           HA2      GLY  44   5.919  -7.852   4.359
    3    HA2  GLY  44           HA3      GLY  44   7.038  -8.148   3.036

  No H/Q in entry =           3
  In of MODEL   28
    1    H1   ALA   1           H2       ALA   1 -10.902  16.703  -5.269
    2    H2   ALA   1           H1       ALA   1 -11.050  15.306  -6.255
    3    H3   ALA   1           H3       ALA   1 -12.186  15.595  -5.004
    4    HA   ALA   1           HA       ALA   1 -10.808  13.987  -4.176
    5    HB2  ALA   1           HB1      ALA   1  -8.563  15.633  -5.320
    6    HB3  ALA   1           HB2      ALA   1  -9.060  14.006  -5.786
    7    HB1  ALA   1           HB3      ALA   1  -8.316  14.283  -4.211

  No H/Q in entry =           7
  In of MODEL   28
    1    H    MET   2           H        MET   2 -11.100  14.174  -2.065
    2    HA   MET   2           HA       MET   2  -9.669  16.147  -0.535
    3    HB2  MET   2           HB2      MET   2 -11.682  17.401  -1.278
    4    HB3  MET   2           HB3      MET   2 -12.692  16.194  -0.495
    5    HG2  MET   2           HG2      MET   2 -11.113  16.874   1.566
    6    HG3  MET   2           HG3      MET   2 -11.113  18.390   0.666
    7    HE1  MET   2           HE1      MET   2 -12.833  20.082   0.758
    8    HE3  MET   2           HE2      MET   2 -14.555  19.814   1.027
    9    HE2  MET   2           HE3      MET   2 -13.776  19.161  -0.414

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP   3           H        ASP   3 -12.423  13.889  -0.376
    2    HA   ASP   3           HA       ASP   3 -11.352  12.880   2.171
    3    HB2  ASP   3           HB2      ASP   3 -13.619  11.930   2.521
    4    HB3  ASP   3           HB3      ASP   3 -13.635  13.682   2.346

  No H/Q in entry =           4
  In of MODEL   28
    1    H    CYS   4           H        CYS   4 -10.295  12.146  -0.436
    2    HA   CYS   4           HA       CYS   4 -11.063   9.306  -0.549
    3    HB2  CYS   4           HB2      CYS   4 -10.426  11.284  -2.608
    4    HB3  CYS   4           HB3      CYS   4  -9.533   9.780  -2.801

  No H/Q in entry =           4
  In of MODEL   28
    1    H    THR   5           H        THR   5  -9.682   7.939   0.343
    2    HA   THR   5           HA       THR   5  -7.147   8.681   1.317
    3    HB   THR   5           HB       THR   5  -6.837   6.228   1.697
    4    HG1  THR   5           HG1      THR   5  -7.943   5.366  -0.025
    5   HG21  THR   5          HG21      THR   5  -9.146   7.755   2.678
    6   HG23  THR   5          HG22      THR   5  -7.867   6.923   3.563
    7   HG22  THR   5          HG23      THR   5  -9.223   6.008   2.903

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR   6           H        THR   6  -5.493   9.228   0.054
    2    HA   THR   6           HA       THR   6  -4.946   7.571  -2.322
    3    HB   THR   6           HB       THR   6  -4.106  10.445  -1.928
    4    HG1  THR   6           HG1      THR   6  -6.276   9.486  -3.475
    5   HG23  THR   6          HG21      THR   6  -2.812   9.942  -3.675
    6   HG22  THR   6          HG22      THR   6  -4.312  10.042  -4.597
    7   HG21  THR   6          HG23      THR   6  -3.714   8.474  -4.053

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY   7           H        GLY   7  -2.710   7.224  -2.865
    2    HA3  GLY   7           HA2      GLY   7  -0.404   7.914  -1.775
    3    HA2  GLY   7           HA3      GLY   7  -1.068   6.952  -0.464

  No H/Q in entry =           3
  In of MODEL   28
    1    HA   PRO   8           HA       PRO   8   1.276   4.152  -3.376
    2    HB2  PRO   8           HB2      PRO   8   2.817   2.969  -1.488
    3    HB3  PRO   8           HB3      PRO   8   3.274   4.481  -2.282
    4    HG2  PRO   8           HG2      PRO   8   2.016   4.055   0.402
    5    HG3  PRO   8           HG3      PRO   8   3.331   5.154  -0.056
    6    HD2  PRO   8           HD2      PRO   8   0.768   5.984   0.256
    7    HD3  PRO   8           HD3      PRO   8   1.884   6.734  -0.902

  No H/Q in entry =           7
  In of MODEL   28
    1    H    CYS   9           H        CYS   9  -0.053   3.541  -0.147
    2    HA   CYS   9           HA       CYS   9  -0.763   0.815  -0.958
    3    HB2  CYS   9           HB2      CYS   9  -0.110   2.108   1.580
    4    HB3  CYS   9           HB3      CYS   9  -1.549   1.100   1.680

  No H/Q in entry =           4
  In of MODEL   28
    1    H    CYS  10           H        CYS  10  -2.152   3.135  -2.011
    2    HA   CYS  10           HA       CYS  10  -4.855   2.359  -1.235
    3    HB2  CYS  10           HB2      CYS  10  -3.758   5.159  -1.071
    4    HB3  CYS  10           HB3      CYS  10  -5.479   4.855  -1.287

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ARG  11           H        ARG  11  -6.491   3.115  -2.785
    2    HA   ARG  11           HA       ARG  11  -5.378   3.116  -5.490
    3    HB2  ARG  11           HB2      ARG  11  -7.975   2.301  -4.281
    4    HB3  ARG  11           HB3      ARG  11  -7.985   2.839  -5.954
    5    HG2  ARG  11           HG2      ARG  11  -5.920   0.859  -5.240
    6    HG3  ARG  11           HG3      ARG  11  -7.593   0.296  -5.215
    7    HD2  ARG  11           HD2      ARG  11  -7.561   1.663  -7.547
    8    HD3  ARG  11           HD3      ARG  11  -5.892   1.100  -7.482
    9    HE   ARG  11           HE       ARG  11  -6.643  -0.996  -7.960
   10   HH11  ARG  11          HH11      ARG  11  -9.312   0.855  -6.684
   11   HH12  ARG  11          HH12      ARG  11 -10.476  -0.396  -6.964
   12   HH21  ARG  11          HH21      ARG  11  -8.173  -2.643  -8.329
   13   HH22  ARG  11          HH22      ARG  11  -9.830  -2.382  -7.897

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  12           H        GLN  12  -5.320   5.521  -3.865
    2    HA   GLN  12           HA       GLN  12  -5.573   7.761  -4.199
    3    HB2  GLN  12           HB2      GLN  12  -5.541   6.864  -6.689
    4    HB3  GLN  12           HB3      GLN  12  -7.226   7.364  -6.646
    5    HG2  GLN  12           HG2      GLN  12  -6.457   9.355  -7.276
    6    HG3  GLN  12           HG3      GLN  12  -5.974   9.541  -5.591
    7   HE21  GLN  12          HE21      GLN  12  -4.753  10.815  -7.797
    8   HE22  GLN  12          HE22      GLN  12  -3.122  10.255  -7.899

  No H/Q in entry =           8
  In of MODEL   28
    1    H    CYS  13           H        CYS  13  -7.866   5.757  -3.289
    2    HA   CYS  13           HA       CYS  13  -9.629   7.834  -2.433
    3    HB2  CYS  13           HB2      CYS  13 -10.357   6.148  -4.759
    4    HB3  CYS  13           HB3      CYS  13 -11.610   6.386  -3.546

  No H/Q in entry =           4
  In of MODEL   28
    1    H    LYS  14           H        LYS  14  -9.149   4.350  -2.868
    2    HA   LYS  14           HA       LYS  14 -10.185   3.968  -0.140
    3    HB2  LYS  14           HB2      LYS  14 -10.530   1.989  -2.393
    4    HB3  LYS  14           HB3      LYS  14 -11.220   1.895  -0.779
    5    HG2  LYS  14           HG2      LYS  14 -12.753   3.610  -1.210
    6    HG3  LYS  14           HG3      LYS  14 -11.878   4.147  -2.645
    7    HD2  LYS  14           HD2      LYS  14 -12.414   1.888  -3.654
    8    HD3  LYS  14           HD3      LYS  14 -13.514   1.644  -2.296
    9    HE2  LYS  14           HE2      LYS  14 -13.783   4.192  -3.768
   10    HE3  LYS  14           HE3      LYS  14 -14.262   2.733  -4.635
   11    HZ1  LYS  14           HZ1      LYS  14 -15.734   2.180  -2.783
   12    HZ3  LYS  14           HZ2      LYS  14 -16.132   3.677  -3.462
   13    HZ2  LYS  14           HZ3      LYS  14 -15.297   3.611  -1.993

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  15           H        LEU  15  -9.338   2.067   0.963
    2    HA   LEU  15           HA       LEU  15  -6.551   1.904   0.853
    3    HB2  LEU  15           HB2      LEU  15  -8.459  -0.121   2.025
    4    HB3  LEU  15           HB3      LEU  15  -6.758   0.046   2.417
    5    HG   LEU  15           HG       LEU  15  -8.835   2.168   2.954
    6   HD13  LEU  15          HD11      LEU  15  -9.436   0.441   4.395
    7   HD12  LEU  15          HD12      LEU  15  -8.355   1.438   5.369
    8   HD11  LEU  15          HD13      LEU  15  -7.764  -0.059   4.647
    9   HD21  LEU  15          HD21      LEU  15  -5.905   1.907   3.491
   10   HD23  LEU  15          HD22      LEU  15  -6.925   2.864   4.565
   11   HD22  LEU  15          HD23      LEU  15  -6.809   3.281   2.855

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  16           H        LYS  16  -5.153   0.658  -0.245
    2    HA   LYS  16           HA       LYS  16  -5.935  -0.720  -2.548
    3    HB2  LYS  16           HB2      LYS  16  -3.445  -0.255  -1.080
    4    HB3  LYS  16           HB3      LYS  16  -3.469  -1.795  -1.929
    5    HG2  LYS  16           HG2      LYS  16  -3.858  -0.718  -4.022
    6    HG3  LYS  16           HG3      LYS  16  -4.104   0.841  -3.232
    7    HD2  LYS  16           HD2      LYS  16  -1.825   1.014  -2.644
    8    HD3  LYS  16           HD3      LYS  16  -1.523  -0.687  -3.006
    9    HE2  LYS  16           HE2      LYS  16  -2.370   0.099  -5.408
   10    HE3  LYS  16           HE3      LYS  16  -1.743   1.642  -4.829
   11    HZ2  LYS  16           HZ1      LYS  16  -0.232  -0.127  -6.057
   12    HZ1  LYS  16           HZ2      LYS  16  -0.039  -0.699  -4.477
   13    HZ3  LYS  16           HZ3      LYS  16   0.378   0.896  -4.855

  No H/Q in entry =          13
  In of MODEL   28
    1    HA   PRO  17           HA       PRO  17  -7.345  -4.713  -1.353
    2    HB2  PRO  17           HB2      PRO  17  -5.374  -5.780  -3.319
    3    HB3  PRO  17           HB3      PRO  17  -7.105  -6.101  -3.174
    4    HG2  PRO  17           HG2      PRO  17  -6.178  -4.494  -5.083
    5    HG3  PRO  17           HG3      PRO  17  -7.696  -4.130  -4.242
    6    HD2  PRO  17           HD2      PRO  17  -5.007  -2.878  -3.932
    7    HD3  PRO  17           HD3      PRO  17  -6.618  -2.143  -3.809

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  18           H        ALA  18  -6.777  -5.665   0.493
    2    HA   ALA  18           HA       ALA  18  -4.301  -5.640   1.698
    3    HB3  ALA  18           HB1      ALA  18  -6.706  -7.377   2.024
    4    HB1  ALA  18           HB2      ALA  18  -6.012  -6.195   3.134
    5    HB2  ALA  18           HB3      ALA  18  -5.230  -7.760   2.909

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  19           H        GLY  19  -2.459  -6.369   0.854
    2    HA3  GLY  19           HA2      GLY  19  -1.113  -8.412   0.626
    3    HA2  GLY  19           HA3      GLY  19  -2.452  -9.097  -0.284

  No H/Q in entry =           3
  In of MODEL   28
    1    H    THR  20           H        THR  20  -1.575  -5.784  -0.796
    2    HA   THR  20           HA       THR  20  -0.633  -6.489  -3.479
    3    HB   THR  20           HB       THR  20  -1.484  -3.790  -2.413
    4    HG1  THR  20           HG1      THR  20  -2.948  -5.613  -4.015
    5   HG22  THR  20          HG21      THR  20  -1.744  -3.166  -4.749
    6   HG21  THR  20          HG22      THR  20  -1.114  -4.738  -5.244
    7   HG23  THR  20          HG23      THR  20  -0.075  -3.603  -4.383

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR  21           H        THR  21   1.437  -6.259  -4.022
    2    HA   THR  21           HA       THR  21   3.475  -5.794  -2.242
    3    HB   THR  21           HB       THR  21   4.602  -4.971  -4.606
    4    HG1  THR  21           HG1      THR  21   3.493  -5.708  -6.251
    5   HG23  THR  21          HG21      THR  21   5.685  -6.749  -3.729
    6   HG22  THR  21          HG22      THR  21   4.780  -7.578  -4.997
    7   HG21  THR  21          HG23      THR  21   4.195  -7.607  -3.333

  No H/Q in entry =           7
  In of MODEL   28
    1    H    CYS  22           H        CYS  22   5.100  -4.034  -2.234
    2    HA   CYS  22           HA       CYS  22   4.177  -1.401  -2.989
    3    HB2  CYS  22           HB2      CYS  22   3.048  -1.695  -0.845
    4    HB3  CYS  22           HB3      CYS  22   4.570  -2.137  -0.081

  No H/Q in entry =           4
  In of MODEL   28
    1    H    TRP  23           H        TRP  23   6.566  -3.259  -1.127
    2    HA   TRP  23           HA       TRP  23   8.757  -2.323  -2.622
    3    HB2  TRP  23           HB2      TRP  23   7.943  -0.324  -1.036
    4    HB3  TRP  23           HB3      TRP  23   8.969  -1.177   0.112
    5    HD1  TRP  23           HD1      TRP  23  11.145   0.175   0.217
    6    HE1  TRP  23           HE1      TRP  23  12.810   1.114  -1.507
    7    HE3  TRP  23           HE3      TRP  23   8.602  -0.959  -4.072
    8    HZ2  TRP  23           HZ2      TRP  23  13.019   1.343  -4.312
    9    HZ3  TRP  23           HZ3      TRP  23   9.604  -0.345  -6.234
   10    HH2  TRP  23           HH2      TRP  23  11.767   0.782  -6.350

  No H/Q in entry =          10
  In of MODEL   28
    1    H    ARG  24           H        ARG  24  10.882  -2.641  -1.154
    2    HA   ARG  24           HA       ARG  24  10.939  -4.413   0.968
    3    HB2  ARG  24           HB2      ARG  24   9.838  -6.033  -0.485
    4    HB3  ARG  24           HB3      ARG  24  11.088  -5.825  -1.701
    5    HG2  ARG  24           HG2      ARG  24  12.469  -7.251  -0.687
    6    HG3  ARG  24           HG3      ARG  24  12.141  -6.574   0.910
    7    HD2  ARG  24           HD2      ARG  24  10.725  -8.221   1.401
    8    HD3  ARG  24           HD3      ARG  24   9.848  -8.003  -0.113
    9    HE   ARG  24           HE       ARG  24  10.898  -9.864  -0.882
   10   HH11  ARG  24          HH11      ARG  24  12.909  -8.443   1.591
   11   HH12  ARG  24          HH12      ARG  24  14.102  -9.696   1.517
   12   HH21  ARG  24          HH21      ARG  24  12.465 -11.514  -0.980
   13   HH22  ARG  24          HH22      ARG  24  13.850 -11.439   0.057

  No H/Q in entry =          13
  In of MODEL   28
    1    H    THR  25           H        THR  25  12.418  -3.381  -2.036
    2    HA   THR  25           HA       THR  25  14.521  -2.608  -2.469
    3    HB   THR  25           HB       THR  25  15.588  -3.293   0.222
    4    HG1  THR  25           HG1      THR  25  13.995  -2.340   1.176
    5   HG23  THR  25          HG21      THR  25  17.091  -2.050  -1.043
    6   HG22  THR  25          HG22      THR  25  16.337  -0.862   0.020
    7   HG21  THR  25          HG23      THR  25  15.831  -0.984  -1.666

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  26           H        SER  26  13.880  -5.086  -3.263
    2    HA   SER  26           HA       SER  26  16.348  -6.324  -3.680
    3    HB2  SER  26           HB2      SER  26  14.805  -7.308  -1.339
    4    HB3  SER  26           HB3      SER  26  15.520  -8.527  -2.393
    5    HG   SER  26           HG       SER  26  16.714  -7.021  -0.543

  No H/Q in entry =           5
  In of MODEL   28
    1    H    VAL  27           H        VAL  27  13.194  -7.779  -2.981
    2    HA   VAL  27           HA       VAL  27  12.950  -8.442  -5.843
    3    HB   VAL  27           HB       VAL  27  13.501 -10.447  -4.539
    4   HG13  VAL  27          HG11      VAL  27  12.646  -9.930  -2.384
    5   HG12  VAL  27          HG12      VAL  27  11.751 -11.334  -2.967
    6   HG11  VAL  27          HG13      VAL  27  11.009  -9.734  -3.009
    7   HG22  VAL  27          HG21      VAL  27  12.125 -11.762  -5.753
    8   HG21  VAL  27          HG22      VAL  27  11.630 -10.226  -6.465
    9   HG23  VAL  27          HG23      VAL  27  10.668 -10.953  -5.178

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  28           H        SER  28  11.626  -6.692  -3.365
    2    HA   SER  28           HA       SER  28   9.632  -5.662  -3.015
    3    HB2  SER  28           HB2      SER  28   8.472  -4.898  -4.906
    4    HB3  SER  28           HB3      SER  28  10.110  -5.157  -5.507
    5    HG   SER  28           HG       SER  28   8.201  -6.051  -6.732

  No H/Q in entry =           5
  In of MODEL   28
    1    H    SER  29           H        SER  29   8.393  -6.747  -1.617
    2    HA   SER  29           HA       SER  29   6.159  -8.217  -2.467
    3    HB2  SER  29           HB2      SER  29   7.724  -9.998  -2.989
    4    HB3  SER  29           HB3      SER  29   8.437  -9.887  -1.380
    5    HG   SER  29           HG       SER  29   6.959 -11.582  -1.436

  No H/Q in entry =           5
  In of MODEL   28
    1    H    HIS  30           H        HIS  30   6.789  -6.095  -0.652
    2    HA   HIS  30           HA       HIS  30   6.773  -6.961   2.037
    3    HB2  HIS  30           HB2      HIS  30   6.443  -4.423   0.601
    4    HB3  HIS  30           HB3      HIS  30   5.534  -4.507   2.106
    5    HD1  HIS  30           HD1      HIS  30   6.890  -3.180   3.708
    6    HD2  HIS  30           HD2      HIS  30   9.224  -5.801   1.483
    7    HE1  HIS  30           HE1      HIS  30   9.205  -3.006   4.676
    8    HE2  HIS  30           HE2      HIS  30  10.579  -4.667   3.372

  No H/Q in entry =           8
  In of MODEL   28
    1    H    TYR  31           H        TYR  31   4.259  -6.519  -0.335
    2    HA   TYR  31           HA       TYR  31   2.033  -6.980  -0.329
    3    HB2  TYR  31           HB2      TYR  31   2.959  -8.695   1.968
    4    HB3  TYR  31           HB3      TYR  31   1.273  -8.656   1.462
    5    HD1  TYR  31           HD1      TYR  31   1.472  -8.566  -1.450
    6    HD2  TYR  31           HD2      TYR  31   3.775 -10.781   1.359
    7    HE1  TYR  31           HE1      TYR  31   1.950 -10.249  -3.178
    8    HE2  TYR  31           HE2      TYR  31   4.260 -12.469  -0.361
    9    HH   TYR  31           HH       TYR  31   4.353 -12.524  -2.914

  No H/Q in entry =           9
  In of MODEL   28
    1    H    CYS  32           H        CYS  32   0.896  -5.184   0.066
    2    HA   CYS  32           HA       CYS  32   0.942  -3.790   2.544
    3    HB2  CYS  32           HB2      CYS  32   0.450  -2.807   0.251
    4    HB3  CYS  32           HB3      CYS  32  -1.155  -3.517   0.390

  No H/Q in entry =           4
  In of MODEL   28
    1    H    THR  33           H        THR  33  -0.950  -3.372   3.899
    2    HA   THR  33           HA       THR  33  -2.485  -5.837   4.301
    3    HB   THR  33           HB       THR  33  -1.320  -5.237   6.268
    4    HG1  THR  33           HG1      THR  33  -3.904  -4.140   6.633
    5   HG21  THR  33          HG21      THR  33  -1.871  -2.505   5.448
    6   HG23  THR  33          HG22      THR  33  -0.582  -3.152   6.464
    7   HG22  THR  33          HG23      THR  33  -2.160  -2.790   7.164

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY  34           H        GLY  34  -2.959  -3.180   2.572
    2    HA3  GLY  34           HA2      GLY  34  -4.771  -1.910   1.940
    3    HA2  GLY  34           HA3      GLY  34  -5.662  -3.398   2.215

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ARG  35           H        ARG  35  -4.010  -1.502   4.687
    2    HA   ARG  35           HA       ARG  35  -6.625  -1.040   5.951
    3    HB2  ARG  35           HB2      ARG  35  -3.889  -1.547   7.032
    4    HB3  ARG  35           HB3      ARG  35  -5.004  -0.580   7.987
    5    HG2  ARG  35           HG2      ARG  35  -5.903  -3.210   6.911
    6    HG3  ARG  35           HG3      ARG  35  -4.858  -3.157   8.332
    7    HD2  ARG  35           HD2      ARG  35  -7.449  -1.639   8.077
    8    HD3  ARG  35           HD3      ARG  35  -7.301  -3.219   8.846
    9    HE   ARG  35           HE       ARG  35  -5.503  -1.263   9.926
   10   HH11  ARG  35          HH11      ARG  35  -8.754  -2.525  10.074
   11   HH12  ARG  35          HH12      ARG  35  -9.019  -1.995  11.701
   12   HH21  ARG  35          HH21      ARG  35  -5.850  -0.566  12.066
   13   HH22  ARG  35          HH22      ARG  35  -7.371  -0.883  12.832

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  36           H        SER  36  -3.586   0.489   5.059
    2    HA   SER  36           HA       SER  36  -4.897   3.071   5.008
    3    HB2  SER  36           HB2      SER  36  -3.102   4.139   6.395
    4    HB3  SER  36           HB3      SER  36  -4.158   3.058   7.304
    5    HG   SER  36           HG       SER  36  -1.611   2.363   6.259

  No H/Q in entry =           5
  In of MODEL   28
    1    H    CYS  37           H        CYS  37  -3.512   4.753   4.034
    2    HA   CYS  37           HA       CYS  37  -2.154   3.727   1.751
    3    HB2  CYS  37           HB2      CYS  37  -2.123   6.580   2.747
    4    HB3  CYS  37           HB3      CYS  37  -1.851   6.019   1.101

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLU  38           H        GLU  38  -1.156   4.858   4.885
    2    HA   GLU  38           HA       GLU  38   1.545   5.412   4.325
    3    HB2  GLU  38           HB2      GLU  38   0.156   4.538   6.857
    4    HB3  GLU  38           HB3      GLU  38   1.863   4.957   6.799
    5    HG2  GLU  38           HG2      GLU  38   1.168   7.010   7.314
    6    HG3  GLU  38           HG3      GLU  38   0.737   7.123   5.608

  No H/Q in entry =           6
  In of MODEL   28
    1    H    CYS  39           H        CYS  39   2.224   3.739   2.912
    2    HA   CYS  39           HA       CYS  39   2.134   1.010   3.392
    3    HB2  CYS  39           HB2      CYS  39   2.823   1.974   1.249
    4    HB3  CYS  39           HB3      CYS  39   4.299   2.586   1.986

  No H/Q in entry =           4
  In of MODEL   28
    1    HA   PRO  40           HA       PRO  40   4.849   1.023   7.017
    2    HB2  PRO  40           HB2      PRO  40   4.335  -1.529   7.762
    3    HB3  PRO  40           HB3      PRO  40   3.227  -0.195   8.105
    4    HG2  PRO  40           HG2      PRO  40   3.118  -2.232   5.912
    5    HG3  PRO  40           HG3      PRO  40   1.806  -1.621   6.938
    6    HD2  PRO  40           HD2      PRO  40   2.220  -0.737   4.409
    7    HD3  PRO  40           HD3      PRO  40   1.554   0.297   5.689

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  41           H        SER  41   6.529  -0.659   7.795
    2    HA   SER  41           HA       SER  41   8.000  -1.606   5.429
    3    HB2  SER  41           HB2      SER  41   8.890  -0.494   8.071
    4    HB3  SER  41           HB3      SER  41   9.966  -1.548   7.155
    5    HG   SER  41           HG       SER  41  10.284  -0.004   5.754

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  42           H        TYR  42   6.166  -3.365   6.053
    2    HA   TYR  42           HA       TYR  42   7.403  -5.346   7.837
    3    HB2  TYR  42           HB2      TYR  42   4.576  -4.955   6.878
    4    HB3  TYR  42           HB3      TYR  42   5.104  -6.477   7.588
    5    HD1  TYR  42           HD1      TYR  42   4.354  -6.705   9.752
    6    HD2  TYR  42           HD2      TYR  42   5.652  -2.872   8.437
    7    HE1  TYR  42           HE1      TYR  42   3.944  -5.800  12.002
    8    HE2  TYR  42           HE2      TYR  42   5.247  -1.958  10.683
    9    HH   TYR  42           HH       TYR  42   5.177  -3.224  13.202

  No H/Q in entry =           9
  In of MODEL   28
    1    HA   PRO  43           HA       PRO  43   8.378  -7.035   3.671
    2    HB2  PRO  43           HB2      PRO  43  10.650  -8.296   4.455
    3    HB3  PRO  43           HB3      PRO  43  10.607  -6.587   4.009
    4    HG2  PRO  43           HG2      PRO  43  10.576  -7.835   6.730
    5    HG3  PRO  43           HG3      PRO  43  11.487  -6.425   6.156
    6    HD2  PRO  43           HD2      PRO  43   9.207  -6.195   7.596
    7    HD3  PRO  43           HD3      PRO  43   9.674  -5.015   6.355

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY  44           H        GLY  44   7.368  -8.831   3.046
    2    HA3  GLY  44           HA2      GLY  44   7.555 -11.225   4.744
    3    HA2  GLY  44           HA3      GLY  44   5.972 -10.664   4.228

  No H/Q in entry =           3
  In of MODEL   29
    1    H1   ALA   1           H3       ALA   1 -17.269  12.591   3.517
    2    H2   ALA   1           H2       ALA   1 -18.629  12.740   2.480
    3    H3   ALA   1           H1       ALA   1 -17.814  11.236   2.620
    4    HA   ALA   1           HA       ALA   1 -17.239  12.269   0.593
    5    HB2  ALA   1           HB1      ALA   1 -16.697  14.447   0.353
    6    HB3  ALA   1           HB2      ALA   1 -15.841  14.517   1.893
    7    HB1  ALA   1           HB3      ALA   1 -17.601  14.612   1.858

  No H/Q in entry =           7
  In of MODEL   29
    1    H    MET   2           H        MET   2 -15.112  13.216   3.297
    2    HA   MET   2           HA       MET   2 -13.006  12.577   3.871
    3    HB2  MET   2           HB2      MET   2 -13.956  10.038   2.548
    4    HB3  MET   2           HB3      MET   2 -12.391  10.173   3.338
    5    HG2  MET   2           HG2      MET   2 -13.277  10.141   5.409
    6    HG3  MET   2           HG3      MET   2 -14.724  11.024   4.925
    7    HE3  MET   2           HE1      MET   2 -14.348   6.640   5.681
    8    HE2  MET   2           HE2      MET   2 -14.052   8.035   6.719
    9    HE1  MET   2           HE3      MET   2 -12.956   7.682   5.383

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP   3           H        ASP   3 -10.842  11.958   2.985
    2    HA   ASP   3           HA       ASP   3 -10.441  13.290   0.475
    3    HB2  ASP   3           HB2      ASP   3  -8.457  11.824   2.230
    4    HB3  ASP   3           HB3      ASP   3  -8.054  12.895   0.890

  No H/Q in entry =           4
  In of MODEL   29
    1    H    CYS   4           H        CYS   4  -8.542  12.081  -0.893
    2    HA   CYS   4           HA       CYS   4  -9.851   9.651  -1.858
    3    HB2  CYS   4           HB2      CYS   4  -8.153  11.752  -3.068
    4    HB3  CYS   4           HB3      CYS   4  -7.921  10.122  -3.691

  No H/Q in entry =           4
  In of MODEL   29
    1    H    THR   5           H        THR   5  -7.618  10.216   0.385
    2    HA   THR   5           HA       THR   5  -5.808   9.127   1.243
    3    HB   THR   5           HB       THR   5  -5.918   6.568   0.810
    4    HG1  THR   5           HG1      THR   5  -7.698   5.831  -0.174
    5   HG23  THR   5          HG21      THR   5  -7.794   6.261   2.317
    6   HG22  THR   5          HG22      THR   5  -8.277   7.939   2.074
    7   HG21  THR   5          HG23      THR   5  -6.747   7.568   2.868

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR   6           H        THR   6  -4.526  10.391  -0.379
    2    HA   THR   6           HA       THR   6  -3.514   8.931  -2.657
    3    HB   THR   6           HB       THR   6  -1.898  11.054  -2.576
    4    HG1  THR   6           HG1      THR   6  -2.551  12.580  -1.295
    5   HG21  THR   6          HG21      THR   6  -4.346  10.478  -3.868
    6   HG23  THR   6          HG22      THR   6  -3.059  11.572  -4.377
    7   HG22  THR   6          HG23      THR   6  -4.376  12.169  -3.368

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY   7           H        GLY   7  -1.291   8.392  -2.981
    2    HA3  GLY   7           HA2      GLY   7   0.892   8.593  -1.473
    3    HA2  GLY   7           HA3      GLY   7  -0.040   7.443  -0.527

  No H/Q in entry =           3
  In of MODEL   29
    1    HA   PRO   8           HA       PRO   8   2.419   5.054  -3.653
    2    HB2  PRO   8           HB2      PRO   8   3.567   3.321  -1.941
    3    HB3  PRO   8           HB3      PRO   8   4.233   4.933  -2.234
    4    HG2  PRO   8           HG2      PRO   8   2.551   3.962   0.043
    5    HG3  PRO   8           HG3      PRO   8   3.972   5.022   0.073
    6    HD2  PRO   8           HD2      PRO   8   1.399   5.936   0.212
    7    HD3  PRO   8           HD3      PRO   8   2.743   6.886  -0.450

  No H/Q in entry =           7
  In of MODEL   29
    1    H    CYS   9           H        CYS   9   0.766   3.719  -0.786
    2    HA   CYS   9           HA       CYS   9  -0.114   1.428  -2.369
    3    HB2  CYS   9           HB2      CYS   9   0.774   1.560   0.190
    4    HB3  CYS   9           HB3      CYS   9  -0.964   1.651   0.453

  No H/Q in entry =           4
  In of MODEL   29
    1    H    CYS  10           H        CYS  10  -1.313   3.556  -3.379
    2    HA   CYS  10           HA       CYS  10  -4.077   3.314  -2.409
    3    HB2  CYS  10           HB2      CYS  10  -3.116   5.919  -3.537
    4    HB3  CYS  10           HB3      CYS  10  -4.482   5.604  -2.474

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ARG  11           H        ARG  11  -5.674   3.355  -3.985
    2    HA   ARG  11           HA       ARG  11  -4.685   3.008  -6.731
    3    HB2  ARG  11           HB2      ARG  11  -6.828   1.753  -5.142
    4    HB3  ARG  11           HB3      ARG  11  -7.263   2.125  -6.805
    5    HG2  ARG  11           HG2      ARG  11  -4.658   0.818  -6.485
    6    HG3  ARG  11           HG3      ARG  11  -6.046  -0.156  -5.995
    7    HD2  ARG  11           HD2      ARG  11  -6.981   0.802  -8.313
    8    HD3  ARG  11           HD3      ARG  11  -5.256   0.826  -8.673
    9    HE   ARG  11           HE       ARG  11  -6.046  -1.664  -7.552
   10   HH11  ARG  11          HH11      ARG  11  -6.104   0.190 -10.508
   11   HH12  ARG  11          HH12      ARG  11  -6.164  -1.206 -11.530
   12   HH21  ARG  11          HH21      ARG  11  -6.124  -3.502  -8.895
   13   HH22  ARG  11          HH22      ARG  11  -6.176  -3.303 -10.615

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  12           H        GLN  12  -4.591   5.394  -6.851
    2    HA   GLN  12           HA       GLN  12  -5.376   7.324  -7.766
    3    HB2  GLN  12           HB2      GLN  12  -6.827   5.434  -9.041
    4    HB3  GLN  12           HB3      GLN  12  -8.117   6.327  -8.247
    5    HG2  GLN  12           HG2      GLN  12  -6.028   7.525 -10.053
    6    HG3  GLN  12           HG3      GLN  12  -7.679   7.122 -10.522
    7   HE21  GLN  12          HE21      GLN  12  -5.632   9.436  -9.128
    8   HE22  GLN  12          HE22      GLN  12  -6.839  10.587  -8.679

  No H/Q in entry =           8
  In of MODEL   29
    1    H    CYS  13           H        CYS  13  -8.294   5.932  -6.303
    2    HA   CYS  13           HA       CYS  13  -8.245   7.992  -4.238
    3    HB2  CYS  13           HB2      CYS  13  -9.570   8.892  -6.161
    4    HB3  CYS  13           HB3      CYS  13 -10.682   7.542  -5.971

  No H/Q in entry =           4
  In of MODEL   29
    1    H    LYS  14           H        LYS  14  -7.865   5.090  -4.290
    2    HA   LYS  14           HA       LYS  14  -9.741   4.437  -2.182
    3    HB2  LYS  14           HB2      LYS  14  -9.660   2.983  -4.811
    4    HB3  LYS  14           HB3      LYS  14 -10.143   2.154  -3.337
    5    HG2  LYS  14           HG2      LYS  14 -12.197   2.820  -3.938
    6    HG3  LYS  14           HG3      LYS  14 -11.710   4.345  -3.196
    7    HD2  LYS  14           HD2      LYS  14 -11.450   5.398  -5.205
    8    HD3  LYS  14           HD3      LYS  14 -11.007   3.912  -6.048
    9    HE2  LYS  14           HE2      LYS  14 -13.292   3.185  -6.093
   10    HE3  LYS  14           HE3      LYS  14 -13.787   4.525  -5.059
   11    HZ3  LYS  14           HZ1      LYS  14 -14.333   4.971  -7.356
   12    HZ2  LYS  14           HZ2      LYS  14 -12.721   4.758  -7.822
   13    HZ1  LYS  14           HZ3      LYS  14 -13.148   6.059  -6.829

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  15           H        LEU  15  -8.751   3.320  -0.620
    2    HA   LEU  15           HA       LEU  15  -6.039   2.867  -0.538
    3    HB2  LEU  15           HB2      LEU  15  -8.089   2.610   1.230
    4    HB3  LEU  15           HB3      LEU  15  -7.651   0.929   0.989
    5    HG   LEU  15           HG       LEU  15  -5.407   2.778   1.528
    6   HD13  LEU  15          HD11      LEU  15  -5.927   3.394   3.623
    7   HD12  LEU  15          HD12      LEU  15  -6.784   1.891   3.965
    8   HD11  LEU  15          HD13      LEU  15  -7.590   3.184   3.076
    9   HD23  LEU  15          HD21      LEU  15  -4.805   0.835   3.027
   10   HD22  LEU  15          HD22      LEU  15  -4.891   0.483   1.301
   11   HD21  LEU  15          HD23      LEU  15  -6.213   0.004   2.365

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  16           H        LYS  16  -4.738   1.506  -1.560
    2    HA   LYS  16           HA       LYS  16  -5.523  -0.390  -3.402
    3    HB2  LYS  16           HB2      LYS  16  -3.062   0.493  -2.239
    4    HB3  LYS  16           HB3      LYS  16  -3.044  -1.263  -2.321
    5    HG2  LYS  16           HG2      LYS  16  -2.901  -1.288  -4.561
    6    HG3  LYS  16           HG3      LYS  16  -3.992   0.086  -4.751
    7    HD2  LYS  16           HD2      LYS  16  -2.269   1.642  -4.376
    8    HD3  LYS  16           HD3      LYS  16  -1.192   0.412  -3.711
    9    HE2  LYS  16           HE2      LYS  16  -2.136   0.056  -6.502
   10    HE3  LYS  16           HE3      LYS  16  -0.951   1.326  -6.198
   11    HZ1  LYS  16           HZ1      LYS  16   0.354  -0.471  -4.998
   12    HZ3  LYS  16           HZ2      LYS  16   0.299  -0.564  -6.685
   13    HZ2  LYS  16           HZ3      LYS  16  -0.675  -1.583  -5.751

  No H/Q in entry =          13
  In of MODEL   29
    1    HA   PRO  17           HA       PRO  17  -6.826  -3.993  -1.229
    2    HB2  PRO  17           HB2      PRO  17  -5.712  -5.991  -2.728
    3    HB3  PRO  17           HB3      PRO  17  -7.143  -5.078  -3.220
    4    HG2  PRO  17           HG2      PRO  17  -4.288  -4.717  -4.042
    5    HG3  PRO  17           HG3      PRO  17  -5.756  -4.653  -5.035
    6    HD2  PRO  17           HD2      PRO  17  -4.497  -2.421  -4.206
    7    HD3  PRO  17           HD3      PRO  17  -6.264  -2.497  -4.369

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  18           H        ALA  18  -6.177  -5.353   0.381
    2    HA   ALA  18           HA       ALA  18  -3.688  -4.985   1.590
    3    HB2  ALA  18           HB1      ALA  18  -4.363  -6.540   3.190
    4    HB3  ALA  18           HB2      ALA  18  -5.332  -7.452   2.033
    5    HB1  ALA  18           HB3      ALA  18  -5.881  -5.872   2.591

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  19           H        GLY  19  -2.106  -6.754   2.099
    2    HA3  GLY  19           HA2      GLY  19  -0.519  -8.257   1.401
    3    HA2  GLY  19           HA3      GLY  19  -1.793  -9.013   0.457

  No H/Q in entry =           3
  In of MODEL   29
    1    H    THR  20           H        THR  20  -1.207  -5.701  -0.212
    2    HA   THR  20           HA       THR  20   0.188  -6.472  -2.687
    3    HB   THR  20           HB       THR  20  -1.547  -4.055  -2.145
    4    HG1  THR  20           HG1      THR  20  -2.035  -6.307  -3.794
    5   HG21  THR  20          HG21      THR  20   0.414  -4.235  -4.046
    6   HG23  THR  20          HG22      THR  20  -1.001  -3.184  -4.114
    7   HG22  THR  20          HG23      THR  20  -1.030  -4.754  -4.917

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR  21           H        THR  21   2.291  -6.075  -2.572
    2    HA   THR  21           HA       THR  21   3.570  -4.438  -0.721
    3    HB   THR  21           HB       THR  21   4.865  -6.093  -1.803
    4    HG1  THR  21           HG1      THR  21   6.598  -4.925  -2.332
    5   HG21  THR  21          HG21      THR  21   3.417  -5.466  -4.102
    6   HG23  THR  21          HG22      THR  21   4.663  -6.700  -3.914
    7   HG22  THR  21          HG23      THR  21   5.099  -5.085  -4.473

  No H/Q in entry =           7
  In of MODEL   29
    1    H    CYS  22           H        CYS  22   4.992  -2.537  -1.298
    2    HA   CYS  22           HA       CYS  22   3.416  -0.629  -2.888
    3    HB2  CYS  22           HB2      CYS  22   5.329  -0.187  -0.590
    4    HB3  CYS  22           HB3      CYS  22   4.627   1.116  -1.543

  No H/Q in entry =           4
  In of MODEL   29
    1    H    TRP  23           H        TRP  23   6.714  -1.714  -2.205
    2    HA   TRP  23           HA       TRP  23   7.531  -0.588  -4.799
    3    HB2  TRP  23           HB2      TRP  23   8.421   0.810  -2.975
    4    HB3  TRP  23           HB3      TRP  23   9.186  -0.608  -2.265
    5    HD1  TRP  23           HD1      TRP  23   9.284   1.129  -5.749
    6    HE1  TRP  23           HE1      TRP  23  11.732   1.149  -6.544
    7    HE3  TRP  23           HE3      TRP  23  11.441  -1.294  -1.797
    8    HZ2  TRP  23           HZ2      TRP  23  14.245   0.256  -5.618
    9    HZ3  TRP  23           HZ3      TRP  23  13.872  -1.672  -1.830
   10    HH2  TRP  23           HH2      TRP  23  15.244  -0.913  -3.702

  No H/Q in entry =          10
  In of MODEL   29
    1    H    ARG  24           H        ARG  24   7.174  -2.681  -5.687
    2    HA   ARG  24           HA       ARG  24   8.332  -5.048  -4.727
    3    HB2  ARG  24           HB2      ARG  24   8.090  -5.804  -7.156
    4    HB3  ARG  24           HB3      ARG  24   6.625  -5.292  -6.329
    5    HG2  ARG  24           HG2      ARG  24   6.377  -3.436  -7.617
    6    HG3  ARG  24           HG3      ARG  24   8.112  -3.246  -7.873
    7    HD2  ARG  24           HD2      ARG  24   7.838  -5.488  -9.209
    8    HD3  ARG  24           HD3      ARG  24   6.154  -4.976  -9.311
    9    HE   ARG  24           HE       ARG  24   7.526  -2.779 -10.100
   10   HH11  ARG  24          HH11      ARG  24   7.576  -6.121 -11.103
   11   HH12  ARG  24          HH12      ARG  24   8.022  -5.754 -12.735
   12   HH21  ARG  24          HH21      ARG  24   8.111  -2.294 -12.247
   13   HH22  ARG  24          HH22      ARG  24   8.326  -3.582 -13.385

  No H/Q in entry =          13
  In of MODEL   29
    1    H    THR  25           H        THR  25  10.290  -5.986  -4.980
    2    HA   THR  25           HA       THR  25  12.183  -5.260  -6.953
    3    HB   THR  25           HB       THR  25  12.517  -3.237  -5.740
    4    HG1  THR  25           HG1      THR  25  14.528  -5.012  -4.834
    5   HG23  THR  25          HG21      THR  25  11.693  -3.301  -3.638
    6   HG22  THR  25          HG22      THR  25  13.391  -3.592  -3.262
    7   HG21  THR  25          HG23      THR  25  12.262  -4.944  -3.343

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  26           H        SER  26  14.275  -6.363  -6.637
    2    HA   SER  26           HA       SER  26  13.843  -8.926  -5.338
    3    HB2  SER  26           HB2      SER  26  16.288  -8.128  -6.913
    4    HB3  SER  26           HB3      SER  26  15.640  -9.746  -6.644
    5    HG   SER  26           HG       SER  26  14.724  -9.420  -8.509

  No H/Q in entry =           5
  In of MODEL   29
    1    H    VAL  27           H        VAL  27  13.993  -7.222  -3.347
    2    HA   VAL  27           HA       VAL  27  16.496  -7.911  -2.058
    3    HB   VAL  27           HB       VAL  27  15.631  -5.022  -2.119
    4   HG13  VAL  27          HG11      VAL  27  16.822  -5.207  -0.177
    5   HG12  VAL  27          HG12      VAL  27  18.140  -4.906  -1.310
    6   HG11  VAL  27          HG13      VAL  27  17.798  -6.550  -0.773
    7   HG21  VAL  27          HG21      VAL  27  17.795  -6.421  -3.682
    8   HG23  VAL  27          HG22      VAL  27  17.679  -4.671  -3.503
    9   HG22  VAL  27          HG23      VAL  27  16.395  -5.560  -4.323

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  28           H        SER  28  13.447  -6.136  -1.787
    2    HA   SER  28           HA       SER  28  12.649  -7.603   0.519
    3    HB2  SER  28           HB2      SER  28  14.357  -5.844   1.368
    4    HB3  SER  28           HB3      SER  28  13.068  -4.677   1.077
    5    HG   SER  28           HG       SER  28  12.976  -6.941   2.785

  No H/Q in entry =           5
  In of MODEL   29
    1    H    SER  29           H        SER  29  10.478  -7.542   0.752
    2    HA   SER  29           HA       SER  29   9.017  -5.544  -0.849
    3    HB2  SER  29           HB2      SER  29   7.230  -7.277  -1.071
    4    HB3  SER  29           HB3      SER  29   8.752  -7.742  -1.829
    5    HG   SER  29           HG       SER  29   9.065  -9.242  -0.331

  No H/Q in entry =           5
  In of MODEL   29
    1    H    HIS  30           H        HIS  30   7.077  -4.710  -0.012
    2    HA   HIS  30           HA       HIS  30   6.609  -5.225   2.848
    3    HB2  HIS  30           HB2      HIS  30   6.555  -2.524   1.485
    4    HB3  HIS  30           HB3      HIS  30   6.155  -2.829   3.172
    5    HD1  HIS  30           HD1      HIS  30   8.013  -2.372   4.726
    6    HD2  HIS  30           HD2      HIS  30   9.392  -3.425   0.950
    7    HE1  HIS  30           HE1      HIS  30  10.519  -2.199   4.853
    8    HE2  HIS  30           HE2      HIS  30  11.326  -2.756   2.532

  No H/Q in entry =           8
  In of MODEL   29
    1    H    TYR  31           H        TYR  31   4.928  -6.655   2.077
    2    HA   TYR  31           HA       TYR  31   2.793  -5.863   0.450
    3    HB2  TYR  31           HB2      TYR  31   3.100  -7.982   2.560
    4    HB3  TYR  31           HB3      TYR  31   1.550  -7.720   1.768
    5    HD1  TYR  31           HD1      TYR  31   4.287  -9.757   1.717
    6    HD2  TYR  31           HD2      TYR  31   1.941  -7.423  -0.956
    7    HE1  TYR  31           HE1      TYR  31   5.011 -11.182  -0.153
    8    HE2  TYR  31           HE2      TYR  31   2.657  -8.841  -2.833
    9    HH   TYR  31           HH       TYR  31   4.799 -10.371  -3.272

  No H/Q in entry =           9
  In of MODEL   29
    1    H    CYS  32           H        CYS  32   0.997  -4.699   0.791
    2    HA   CYS  32           HA       CYS  32   0.747  -3.200   3.223
    3    HB2  CYS  32           HB2      CYS  32  -0.568  -3.225   0.566
    4    HB3  CYS  32           HB3      CYS  32  -1.531  -2.613   1.906

  No H/Q in entry =           4
  In of MODEL   29
    1    H    THR  33           H        THR  33  -1.567  -2.968   4.156
    2    HA   THR  33           HA       THR  33  -2.623  -5.679   4.631
    3    HB   THR  33           HB       THR  33  -3.024  -5.149   6.885
    4    HG1  THR  33           HG1      THR  33  -3.230  -3.143   7.649
    5   HG23  THR  33          HG21      THR  33  -0.971  -4.588   7.818
    6   HG22  THR  33          HG22      THR  33  -0.540  -3.533   6.471
    7   HG21  THR  33          HG23      THR  33  -0.555  -5.283   6.252

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY  34           H        GLY  34  -3.377  -3.282   2.774
    2    HA3  GLY  34           HA2      GLY  34  -5.305  -2.333   1.965
    3    HA2  GLY  34           HA3      GLY  34  -6.080  -3.805   2.531

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ARG  35           H        ARG  35  -4.500  -1.723   4.812
    2    HA   ARG  35           HA       ARG  35  -7.143  -0.868   5.794
    3    HB2  ARG  35           HB2      ARG  35  -4.626  -1.634   7.248
    4    HB3  ARG  35           HB3      ARG  35  -5.845  -0.628   8.019
    5    HG2  ARG  35           HG2      ARG  35  -7.420  -2.604   7.162
    6    HG3  ARG  35           HG3      ARG  35  -5.909  -3.500   7.332
    7    HD2  ARG  35           HD2      ARG  35  -6.932  -1.720   9.519
    8    HD3  ARG  35           HD3      ARG  35  -7.488  -3.385   9.355
    9    HE   ARG  35           HE       ARG  35  -4.971  -2.510  10.372
   10   HH11  ARG  35          HH11      ARG  35  -6.545  -5.103   8.646
   11   HH12  ARG  35          HH12      ARG  35  -5.393  -6.298   9.138
   12   HH21  ARG  35          HH21      ARG  35  -3.454  -4.080  11.020
   13   HH22  ARG  35          HH22      ARG  35  -3.638  -5.718  10.486

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  36           H        SER  36  -3.856   0.112   5.086
    2    HA   SER  36           HA       SER  36  -4.726   2.903   5.129
    3    HB2  SER  36           HB2      SER  36  -2.621   1.702   6.850
    4    HB3  SER  36           HB3      SER  36  -2.264   3.272   6.131
    5    HG   SER  36           HG       SER  36  -3.845   4.178   7.269

  No H/Q in entry =           5
  In of MODEL   29
    1    H    CYS  37           H        CYS  37  -3.351   4.326   3.890
    2    HA   CYS  37           HA       CYS  37  -2.430   3.117   1.484
    3    HB2  CYS  37           HB2      CYS  37  -2.784   5.847   2.525
    4    HB3  CYS  37           HB3      CYS  37  -1.466   5.674   1.371

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLU  38           H        GLU  38  -0.911   4.102   4.443
    2    HA   GLU  38           HA       GLU  38   1.752   4.272   3.470
    3    HB2  GLU  38           HB2      GLU  38   0.477   4.069   6.163
    4    HB3  GLU  38           HB3      GLU  38   2.202   3.760   6.026
    5    HG2  GLU  38           HG2      GLU  38   1.983   6.067   4.629
    6    HG3  GLU  38           HG3      GLU  38   0.710   6.275   5.831

  No H/Q in entry =           6
  In of MODEL   29
    1    H    CYS  39           H        CYS  39   3.499   2.784   3.956
    2    HA   CYS  39           HA       CYS  39   2.598  -0.021   3.923
    3    HB2  CYS  39           HB2      CYS  39   4.231   1.404   2.097
    4    HB3  CYS  39           HB3      CYS  39   5.276   0.261   2.933

  No H/Q in entry =           4
  In of MODEL   29
    1    HA   PRO  40           HA       PRO  40   4.904   0.320   7.871
    2    HB2  PRO  40           HB2      PRO  40   3.687  -1.829   9.017
    3    HB3  PRO  40           HB3      PRO  40   2.993  -0.204   9.027
    4    HG2  PRO  40           HG2      PRO  40   2.375  -2.517   7.230
    5    HG3  PRO  40           HG3      PRO  40   1.263  -1.374   8.007
    6    HD2  PRO  40           HD2      PRO  40   1.976  -1.154   5.412
    7    HD3  PRO  40           HD3      PRO  40   1.642   0.265   6.426

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  41           H        SER  41   6.020  -1.524   9.148
    2    HA   SER  41           HA       SER  41   7.644  -2.982   7.247
    3    HB2  SER  41           HB2      SER  41   7.918  -3.105  10.247
    4    HB3  SER  41           HB3      SER  41   9.164  -3.335   9.021
    5    HG   SER  41           HG       SER  41   7.962  -0.949   9.908

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  42           H        TYR  42   5.344  -4.110   6.881
    2    HA   TYR  42           HA       TYR  42   5.432  -6.620   8.422
    3    HB2  TYR  42           HB2      TYR  42   3.098  -4.955   7.565
    4    HB3  TYR  42           HB3      TYR  42   2.906  -6.701   7.680
    5    HD1  TYR  42           HD1      TYR  42   2.656  -3.677   9.437
    6    HD2  TYR  42           HD2      TYR  42   3.775  -7.749   9.952
    7    HE1  TYR  42           HE1      TYR  42   2.279  -3.467  11.858
    8    HE2  TYR  42           HE2      TYR  42   3.401  -7.551  12.374
    9    HH   TYR  42           HH       TYR  42   3.453  -5.321  14.069

  No H/Q in entry =           9
  In of MODEL   29
    1    HA   PRO  43           HA       PRO  43   6.199  -7.533   3.934
    2    HB2  PRO  43           HB2      PRO  43   8.155  -9.361   4.377
    3    HB3  PRO  43           HB3      PRO  43   8.471  -7.626   4.268
    4    HG2  PRO  43           HG2      PRO  43   8.171  -9.347   6.699
    5    HG3  PRO  43           HG3      PRO  43   9.358  -8.070   6.371
    6    HD2  PRO  43           HD2      PRO  43   7.171  -7.662   7.913
    7    HD3  PRO  43           HD3      PRO  43   7.880  -6.384   6.906

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY  44           H        GLY  44   5.683  -9.539   6.761
    2    HA3  GLY  44           HA2      GLY  44   4.613 -11.676   5.034
    3    HA2  GLY  44           HA3      GLY  44   5.173 -11.903   6.684

  No H/Q in entry =           3
  In of MODEL   30
    1    H1   ALA   1           H2       ALA   1 -17.588  12.999   2.847
    2    H2   ALA   1           H1       ALA   1 -16.922  12.386   4.305
    3    H3   ALA   1           H3       ALA   1 -17.719  13.904   4.300
    4    HA   ALA   1           HA       ALA   1 -16.061  14.925   3.126
    5    HB1  ALA   1           HB1      ALA   1 -15.210  14.898   5.237
    6    HB3  ALA   1           HB2      ALA   1 -13.940  13.993   4.413
    7    HB2  ALA   1           HB3      ALA   1 -15.184  13.136   5.325

  No H/Q in entry =           7
  In of MODEL   30
    1    H    MET   2           H        MET   2 -14.597  14.938   1.496
    2    HA   MET   2           HA       MET   2 -14.138  12.392   0.136
    3    HB2  MET   2           HB2      MET   2 -14.067  15.265  -0.701
    4    HB3  MET   2           HB3      MET   2 -13.184  14.071  -1.642
    5    HG2  MET   2           HG2      MET   2 -15.539  12.825  -1.479
    6    HG3  MET   2           HG3      MET   2 -16.090  14.495  -1.355
    7    HE3  MET   2           HE1      MET   2 -13.790  12.174  -4.103
    8    HE2  MET   2           HE2      MET   2 -15.357  12.135  -4.912
    9    HE1  MET   2           HE3      MET   2 -15.228  11.670  -3.215

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP   3           H        ASP   3 -12.531  11.634   1.622
    2    HA   ASP   3           HA       ASP   3  -9.970  13.068   1.521
    3    HB2  ASP   3           HB2      ASP   3 -10.869  12.512   3.766
    4    HB3  ASP   3           HB3      ASP   3 -10.809  10.803   3.344

  No H/Q in entry =           4
  In of MODEL   30
    1    H    CYS   4           H        CYS   4  -8.607  12.407   0.007
    2    HA   CYS   4           HA       CYS   4  -8.699   9.602  -0.865
    3    HB2  CYS   4           HB2      CYS   4  -7.800  12.134  -2.215
    4    HB3  CYS   4           HB3      CYS   4  -7.280  10.559  -2.804

  No H/Q in entry =           4
  In of MODEL   30
    1    H    THR   5           H        THR   5  -7.254   8.359   0.121
    2    HA   THR   5           HA       THR   5  -4.892   9.387   1.352
    3    HB   THR   5           HB       THR   5  -5.892   7.487   2.372
    4    HG1  THR   5           HG1      THR   5  -3.969   6.780   2.736
    5   HG23  THR   5          HG21      THR   5  -7.162   6.364   0.819
    6   HG22  THR   5          HG22      THR   5  -5.816   5.254   1.070
    7   HG21  THR   5          HG23      THR   5  -5.850   6.288  -0.357

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR   6           H        THR   6  -4.327  10.413  -0.860
    2    HA   THR   6           HA       THR   6  -3.322   8.910  -2.980
    3    HB   THR   6           HB       THR   6  -1.762  11.086  -3.143
    4    HG1  THR   6           HG1      THR   6  -2.195  12.423  -1.606
    5   HG23  THR   6          HG21      THR   6  -3.179  11.790  -4.710
    6   HG22  THR   6          HG22      THR   6  -4.538  11.857  -3.588
    7   HG21  THR   6          HG23      THR   6  -4.087  10.325  -4.336

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY   7           H        GLY   7  -1.864   7.337  -2.780
    2    HA3  GLY   7           HA2      GLY   7   0.786   7.977  -1.842
    3    HA2  GLY   7           HA3      GLY   7  -0.063   6.837  -0.809

  No H/Q in entry =           3
  In of MODEL   30
    1    HA   PRO   8           HA       PRO   8   2.049   4.402  -4.137
    2    HB2  PRO   8           HB2      PRO   8   3.257   2.611  -2.532
    3    HB3  PRO   8           HB3      PRO   8   3.953   4.205  -2.848
    4    HG2  PRO   8           HG2      PRO   8   2.391   3.256  -0.477
    5    HG3  PRO   8           HG3      PRO   8   3.853   4.258  -0.525
    6    HD2  PRO   8           HD2      PRO   8   1.342   5.278  -0.199
    7    HD3  PRO   8           HD3      PRO   8   2.673   6.178  -0.953

  No H/Q in entry =           7
  In of MODEL   30
    1    H    CYS   9           H        CYS   9   0.263   3.346  -1.273
    2    HA   CYS   9           HA       CYS   9  -0.662   0.974  -2.731
    3    HB2  CYS   9           HB2      CYS   9   0.313   0.969  -0.294
    4    HB3  CYS   9           HB3      CYS   9  -1.310   1.487   0.146

  No H/Q in entry =           4
  In of MODEL   30
    1    H    CYS  10           H        CYS  10  -1.632   3.682  -3.289
    2    HA   CYS  10           HA       CYS  10  -4.477   3.113  -3.008
    3    HB2  CYS  10           HB2      CYS  10  -3.398   5.837  -2.284
    4    HB3  CYS  10           HB3      CYS  10  -5.052   5.256  -2.119

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ARG  11           H        ARG  11  -5.074   3.034  -5.073
    2    HA   ARG  11           HA       ARG  11  -4.180   5.200  -6.862
    3    HB2  ARG  11           HB2      ARG  11  -3.344   2.829  -7.353
    4    HB3  ARG  11           HB3      ARG  11  -5.006   2.455  -7.790
    5    HG2  ARG  11           HG2      ARG  11  -4.909   4.300  -9.461
    6    HG3  ARG  11           HG3      ARG  11  -3.191   4.469  -9.094
    7    HD2  ARG  11           HD2      ARG  11  -2.666   2.394  -9.998
    8    HD3  ARG  11           HD3      ARG  11  -4.324   1.809  -9.867
    9    HE   ARG  11           HE       ARG  11  -4.771   2.725 -11.915
   10   HH11  ARG  11          HH11      ARG  11  -1.794   4.084 -10.702
   11   HH12  ARG  11          HH12      ARG  11  -1.419   4.903 -12.181
   12   HH21  ARG  11          HH21      ARG  11  -4.280   3.802 -13.861
   13   HH22  ARG  11          HH22      ARG  11  -2.830   4.744 -13.974

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  12           H        GLN  12  -5.702   6.259  -8.055
    2    HA   GLN  12           HA       GLN  12  -7.746   7.013  -8.720
    3    HB2  GLN  12           HB2      GLN  12  -8.082   4.092  -8.584
    4    HB3  GLN  12           HB3      GLN  12  -9.575   5.015  -8.515
    5    HG2  GLN  12           HG2      GLN  12  -9.278   4.571 -10.778
    6    HG3  GLN  12           HG3      GLN  12  -8.714   6.230 -10.586
    7   HE21  GLN  12          HE21      GLN  12  -6.567   6.702 -10.870
    8   HE22  GLN  12          HE22      GLN  12  -5.429   5.573 -11.515

  No H/Q in entry =           8
  In of MODEL   30
    1    H    CYS  13           H        CYS  13  -6.936   6.590  -5.752
    2    HA   CYS  13           HA       CYS  13  -7.750   7.341  -3.764
    3    HB2  CYS  13           HB2      CYS  13  -8.975   9.028  -5.177
    4    HB3  CYS  13           HB3      CYS  13 -10.349   7.929  -5.192

  No H/Q in entry =           4
  In of MODEL   30
    1    H    LYS  14           H        LYS  14  -7.688   4.697  -4.101
    2    HA   LYS  14           HA       LYS  14  -9.962   3.818  -2.517
    3    HB2  LYS  14           HB2      LYS  14 -10.118   3.382  -5.179
    4    HB3  LYS  14           HB3      LYS  14  -9.225   1.947  -4.692
    5    HG2  LYS  14           HG2      LYS  14 -11.609   2.607  -3.086
    6    HG3  LYS  14           HG3      LYS  14 -11.895   2.079  -4.745
    7    HD2  LYS  14           HD2      LYS  14 -10.294   0.148  -4.192
    8    HD3  LYS  14           HD3      LYS  14 -10.545   0.604  -2.505
    9    HE2  LYS  14           HE2      LYS  14 -12.802   0.011  -4.407
   10    HE3  LYS  14           HE3      LYS  14 -12.048  -1.221  -3.396
   11    HZ3  LYS  14           HZ1      LYS  14 -13.006  -0.412  -1.538
   12    HZ2  LYS  14           HZ2      LYS  14 -14.151   0.189  -2.629
   13    HZ1  LYS  14           HZ3      LYS  14 -12.929   1.201  -2.044

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  15           H        LEU  15  -8.954   3.090  -0.761
    2    HA   LEU  15           HA       LEU  15  -6.359   2.341  -0.421
    3    HB2  LEU  15           HB2      LEU  15  -8.873   1.807   1.004
    4    HB3  LEU  15           HB3      LEU  15  -7.595   0.653   1.334
    5    HG   LEU  15           HG       LEU  15  -7.173   3.622   1.585
    6   HD13  LEU  15          HD11      LEU  15  -8.995   3.061   3.063
    7   HD12  LEU  15          HD12      LEU  15  -7.528   3.316   4.007
    8   HD11  LEU  15          HD13      LEU  15  -8.100   1.678   3.693
    9   HD21  LEU  15          HD21      LEU  15  -5.625   1.171   2.150
   10   HD23  LEU  15          HD22      LEU  15  -5.524   2.460   3.349
   11   HD22  LEU  15          HD23      LEU  15  -5.077   2.778   1.673

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  16           H        LYS  16  -5.298   1.013  -1.763
    2    HA   LYS  16           HA       LYS  16  -6.220  -1.089  -3.238
    3    HB2  LYS  16           HB2      LYS  16  -3.541  -0.507  -2.031
    4    HB3  LYS  16           HB3      LYS  16  -3.795  -2.018  -2.894
    5    HG2  LYS  16           HG2      LYS  16  -4.617   0.502  -4.229
    6    HG3  LYS  16           HG3      LYS  16  -2.893   0.145  -4.102
    7    HD2  LYS  16           HD2      LYS  16  -3.792  -2.241  -4.950
    8    HD3  LYS  16           HD3      LYS  16  -5.000  -1.188  -5.688
    9    HE2  LYS  16           HE2      LYS  16  -3.520  -0.282  -7.133
   10    HE3  LYS  16           HE3      LYS  16  -2.201  -0.312  -5.963
   11    HZ2  LYS  16           HZ1      LYS  16  -3.041  -2.359  -7.870
   12    HZ1  LYS  16           HZ2      LYS  16  -2.435  -2.890  -6.383
   13    HZ3  LYS  16           HZ3      LYS  16  -1.485  -1.910  -7.381

  No H/Q in entry =          13
  In of MODEL   30
    1    HA   PRO  17           HA       PRO  17  -7.290  -4.385  -0.509
    2    HB2  PRO  17           HB2      PRO  17  -6.583  -6.550  -2.019
    3    HB3  PRO  17           HB3      PRO  17  -8.036  -5.588  -2.309
    4    HG2  PRO  17           HG2      PRO  17  -5.377  -5.464  -3.678
    5    HG3  PRO  17           HG3      PRO  17  -7.004  -5.387  -4.381
    6    HD2  PRO  17           HD2      PRO  17  -5.511  -3.178  -3.993
    7    HD3  PRO  17           HD3      PRO  17  -7.278  -3.161  -3.821

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  18           H        ALA  18  -6.388  -5.625   1.072
    2    HA   ALA  18           HA       ALA  18  -3.721  -5.309   1.772
    3    HB3  ALA  18           HB1      ALA  18  -5.618  -7.504   2.599
    4    HB1  ALA  18           HB2      ALA  18  -5.424  -5.936   3.383
    5    HB2  ALA  18           HB3      ALA  18  -4.103  -7.104   3.407

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  19           H        GLY  19  -1.968  -6.831   1.867
    2    HA3  GLY  19           HA2      GLY  19  -0.740  -8.686   1.156
    3    HA2  GLY  19           HA3      GLY  19  -2.108  -9.185   0.173

  No H/Q in entry =           3
  In of MODEL   30
    1    H    THR  20           H        THR  20  -1.830  -6.068  -0.617
    2    HA   THR  20           HA       THR  20  -0.251  -6.690  -2.988
    3    HB   THR  20           HB       THR  20  -1.934  -4.264  -2.330
    4    HG1  THR  20           HG1      THR  20  -2.461  -6.539  -3.936
    5   HG22  THR  20          HG21      THR  20  -1.362  -4.935  -5.128
    6   HG21  THR  20          HG22      THR  20  -0.001  -4.300  -4.203
    7   HG23  THR  20          HG23      THR  20  -1.492  -3.366  -4.333

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR  21           H        THR  21   1.853  -6.295  -2.928
    2    HA   THR  21           HA       THR  21   3.171  -4.769  -0.995
    3    HB   THR  21           HB       THR  21   4.439  -6.398  -2.147
    4    HG1  THR  21           HG1      THR  21   6.180  -5.220  -2.788
    5   HG23  THR  21          HG21      THR  21   4.183  -6.930  -4.272
    6   HG22  THR  21          HG22      THR  21   4.697  -5.319  -4.776
    7   HG21  THR  21          HG23      THR  21   2.997  -5.633  -4.424

  No H/Q in entry =           7
  In of MODEL   30
    1    H    CYS  22           H        CYS  22   4.634  -2.874  -1.535
    2    HA   CYS  22           HA       CYS  22   3.638  -1.054  -3.553
    3    HB2  CYS  22           HB2      CYS  22   3.336   0.766  -1.772
    4    HB3  CYS  22           HB3      CYS  22   2.064  -0.443  -1.911

  No H/Q in entry =           4
  In of MODEL   30
    1    H    TRP  23           H        TRP  23   6.142  -2.400  -2.955
    2    HA   TRP  23           HA       TRP  23   7.924  -0.265  -3.402
    3    HB2  TRP  23           HB2      TRP  23   7.530   0.094  -0.968
    4    HB3  TRP  23           HB3      TRP  23   8.163  -1.520  -0.660
    5    HD1  TRP  23           HD1      TRP  23   9.494   1.577  -2.612
    6    HE1  TRP  23           HE1      TRP  23  11.966   1.899  -1.974
    7    HE3  TRP  23           HE3      TRP  23  10.011  -2.338   0.635
    8    HZ2  TRP  23           HZ2      TRP  23  13.882   0.658  -0.314
    9    HZ3  TRP  23           HZ3      TRP  23  12.196  -2.702   1.705
   10    HH2  TRP  23           HH2      TRP  23  14.091  -1.234   1.239

  No H/Q in entry =          10
  In of MODEL   30
    1    H    ARG  24           H        ARG  24   8.409  -1.715  -5.106
    2    HA   ARG  24           HA       ARG  24   9.829  -4.166  -4.325
    3    HB2  ARG  24           HB2      ARG  24   8.307  -3.335  -6.744
    4    HB3  ARG  24           HB3      ARG  24   9.657  -4.438  -6.972
    5    HG2  ARG  24           HG2      ARG  24   8.446  -5.692  -4.959
    6    HG3  ARG  24           HG3      ARG  24   7.046  -4.875  -5.657
    7    HD2  ARG  24           HD2      ARG  24   7.083  -6.133  -7.534
    8    HD3  ARG  24           HD3      ARG  24   8.844  -6.203  -7.577
    9    HE   ARG  24           HE       ARG  24   7.791  -7.745  -5.431
   10   HH11  ARG  24          HH11      ARG  24   8.305  -7.773  -8.883
   11   HH12  ARG  24          HH12      ARG  24   8.371  -9.500  -8.985
   12   HH21  ARG  24          HH21      ARG  24   7.879 -10.017  -5.564
   13   HH22  ARG  24          HH22      ARG  24   8.129 -10.775  -7.101

  No H/Q in entry =          13
  In of MODEL   30
    1    H    THR  25           H        THR  25  11.970  -4.197  -4.399
    2    HA   THR  25           HA       THR  25  13.425  -2.778  -6.449
    3    HB   THR  25           HB       THR  25  13.983  -2.110  -3.556
    4    HG1  THR  25           HG1      THR  25  12.594  -0.567  -3.730
    5   HG21  THR  25          HG21      THR  25  15.159  -1.203  -6.145
    6   HG23  THR  25          HG22      THR  25  15.968  -1.715  -4.664
    7   HG22  THR  25          HG23      THR  25  15.162  -0.147  -4.733

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  26           H        SER  26  13.033  -5.534  -5.591
    2    HA   SER  26           HA       SER  26  14.227  -7.451  -5.325
    3    HB2  SER  26           HB2      SER  26  16.536  -5.642  -6.074
    4    HB3  SER  26           HB3      SER  26  16.614  -7.403  -6.014
    5    HG   SER  26           HG       SER  26  16.187  -6.821  -8.114

  No H/Q in entry =           5
  In of MODEL   30
    1    H    VAL  27           H        VAL  27  13.781  -5.685  -3.033
    2    HA   VAL  27           HA       VAL  27  16.068  -6.484  -1.354
    3    HB   VAL  27           HB       VAL  27  15.256  -4.669   0.218
    4   HG12  VAL  27          HG11      VAL  27  16.035  -3.288  -2.271
    5   HG11  VAL  27          HG12      VAL  27  17.089  -4.601  -1.744
    6   HG13  VAL  27          HG13      VAL  27  16.768  -3.241  -0.668
    7   HG21  VAL  27          HG21      VAL  27  13.022  -4.385  -0.707
    8   HG23  VAL  27          HG22      VAL  27  13.710  -3.831  -2.234
    9   HG22  VAL  27          HG23      VAL  27  13.919  -2.867  -0.772

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  28           H        SER  28  12.565  -6.266  -1.583
    2    HA   SER  28           HA       SER  28  12.109  -8.609  -0.113
    3    HB2  SER  28           HB2      SER  28  12.851  -7.219   1.799
    4    HB3  SER  28           HB3      SER  28  11.555  -6.075   1.450
    5    HG   SER  28           HG       SER  28  11.204  -7.827   3.098

  No H/Q in entry =           5
  In of MODEL   30
    1    H    SER  29           H        SER  29   9.623  -8.245   0.924
    2    HA   SER  29           HA       SER  29   8.055  -7.025  -1.244
    3    HB2  SER  29           HB2      SER  29   8.360  -9.699  -1.118
    4    HB3  SER  29           HB3      SER  29   6.981  -9.514  -0.035
    5    HG   SER  29           HG       SER  29   6.070  -8.198  -1.824

  No H/Q in entry =           5
  In of MODEL   30
    1    H    HIS  30           H        HIS  30   7.628  -5.262   0.135
    2    HA   HIS  30           HA       HIS  30   6.420  -5.656   2.710
    3    HB2  HIS  30           HB2      HIS  30   6.879  -3.226   0.985
    4    HB3  HIS  30           HB3      HIS  30   6.014  -3.139   2.516
    5    HD1  HIS  30           HD1      HIS  30   7.500  -2.343   4.309
    6    HD2  HIS  30           HD2      HIS  30   9.543  -4.696   1.561
    7    HE1  HIS  30           HE1      HIS  30   9.871  -2.442   5.141
    8    HE2  HIS  30           HE2      HIS  30  11.068  -3.943   3.509

  No H/Q in entry =           8
  In of MODEL   30
    1    H    TYR  31           H        TYR  31   4.646  -7.026   2.072
    2    HA   TYR  31           HA       TYR  31   2.625  -6.204   0.282
    3    HB2  TYR  31           HB2      TYR  31   2.637  -8.188   2.556
    4    HB3  TYR  31           HB3      TYR  31   1.231  -7.931   1.528
    5    HD1  TYR  31           HD1      TYR  31   2.150  -7.796  -1.133
    6    HD2  TYR  31           HD2      TYR  31   3.706 -10.160   2.043
    7    HE1  TYR  31           HE1      TYR  31   3.051  -9.393  -2.771
    8    HE2  TYR  31           HE2      TYR  31   4.613 -11.763   0.414
    9    HH   TYR  31           HH       TYR  31   4.829 -11.093  -2.901

  No H/Q in entry =           9
  In of MODEL   30
    1    H    CYS  32           H        CYS  32   0.711  -5.138   0.582
    2    HA   CYS  32           HA       CYS  32   0.582  -3.322   2.797
    3    HB2  CYS  32           HB2      CYS  32  -1.077  -3.805   0.348
    4    HB3  CYS  32           HB3      CYS  32  -1.712  -2.798   1.644

  No H/Q in entry =           4
  In of MODEL   30
    1    H    THR  33           H        THR  33  -1.498  -3.020   4.018
    2    HA   THR  33           HA       THR  33  -2.502  -5.649   4.878
    3    HB   THR  33           HB       THR  33  -2.817  -4.766   7.055
    4    HG1  THR  33           HG1      THR  33  -2.265  -2.206   5.967
    5   HG21  THR  33          HG21      THR  33  -0.239  -3.818   5.867
    6   HG23  THR  33          HG22      THR  33  -0.538  -5.210   6.909
    7   HG22  THR  33          HG23      THR  33  -0.621  -3.577   7.572

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY  34           H        GLY  34  -3.452  -3.460   2.804
    2    HA3  GLY  34           HA2      GLY  34  -5.461  -2.655   2.037
    3    HA2  GLY  34           HA3      GLY  34  -6.133  -4.109   2.758

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ARG  35           H        ARG  35  -4.699  -1.157   4.151
    2    HA   ARG  35           HA       ARG  35  -7.261  -0.408   5.283
    3    HB2  ARG  35           HB2      ARG  35  -4.899  -1.181   6.994
    4    HB3  ARG  35           HB3      ARG  35  -6.263  -0.247   7.592
    5    HG2  ARG  35           HG2      ARG  35  -7.663  -2.248   6.662
    6    HG3  ARG  35           HG3      ARG  35  -6.130  -3.113   6.797
    7    HD2  ARG  35           HD2      ARG  35  -6.827  -3.504   8.903
    8    HD3  ARG  35           HD3      ARG  35  -6.208  -1.879   9.196
    9    HE   ARG  35           HE       ARG  35  -8.343  -1.240   9.643
   10   HH11  ARG  35          HH11      ARG  35  -8.472  -4.042   7.566
   11   HH12  ARG  35          HH12      ARG  35 -10.201  -4.137   7.594
   12   HH21  ARG  35          HH21      ARG  35 -10.617  -1.365   9.681
   13   HH22  ARG  35          HH22      ARG  35 -11.419  -2.618   8.794

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  36           H        SER  36  -3.781   0.235   5.221
    2    HA   SER  36           HA       SER  36  -4.390   3.083   4.854
    3    HB2  SER  36           HB2      SER  36  -3.763   2.852   7.189
    4    HB3  SER  36           HB3      SER  36  -2.315   1.949   6.745
    5    HG   SER  36           HG       SER  36  -2.341   4.435   7.146

  No H/Q in entry =           5
  In of MODEL   30
    1    H    CYS  37           H        CYS  37  -2.788   4.278   3.714
    2    HA   CYS  37           HA       CYS  37  -1.527   2.793   1.640
    3    HB2  CYS  37           HB2      CYS  37  -2.281   5.468   2.066
    4    HB3  CYS  37           HB3      CYS  37  -0.536   5.499   1.839

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLU  38           H        GLU  38  -0.505   3.986   4.720
    2    HA   GLU  38           HA       GLU  38   2.254   4.184   4.327
    3    HB2  GLU  38           HB2      GLU  38   0.520   3.642   6.705
    4    HB3  GLU  38           HB3      GLU  38   2.264   3.477   6.858
    5    HG2  GLU  38           HG2      GLU  38   2.077   5.893   5.647
    6    HG3  GLU  38           HG3      GLU  38   0.605   5.881   6.617

  No H/Q in entry =           6
  In of MODEL   30
    1    H    CYS  39           H        CYS  39   3.395   2.631   3.347
    2    HA   CYS  39           HA       CYS  39   2.822  -0.120   3.430
    3    HB2  CYS  39           HB2      CYS  39   5.434   1.266   2.795
    4    HB3  CYS  39           HB3      CYS  39   5.059  -0.414   2.428

  No H/Q in entry =           4
  In of MODEL   30
    1    HA   PRO  40           HA       PRO  40   4.149  -0.838   7.691
    2    HB2  PRO  40           HB2      PRO  40   3.957  -3.636   6.679
    3    HB3  PRO  40           HB3      PRO  40   3.299  -2.926   8.158
    4    HG2  PRO  40           HG2      PRO  40   1.713  -3.453   6.088
    5    HG3  PRO  40           HG3      PRO  40   1.487  -1.984   7.056
    6    HD2  PRO  40           HD2      PRO  40   2.692  -2.303   4.344
    7    HD3  PRO  40           HD3      PRO  40   1.703  -0.979   4.993

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  41           H        SER  41   5.981  -1.827   8.714
    2    HA   SER  41           HA       SER  41   8.257  -2.098   6.889
    3    HB2  SER  41           HB2      SER  41   7.978  -1.332   9.775
    4    HB3  SER  41           HB3      SER  41   9.518  -1.954   9.184
    5    HG   SER  41           HG       SER  41   8.119   0.355   8.342

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  42           H        TYR  42   6.348  -4.252   7.266
    2    HA   TYR  42           HA       TYR  42   8.245  -6.329   8.004
    3    HB2  TYR  42           HB2      TYR  42   6.457  -7.496   9.372
    4    HB3  TYR  42           HB3      TYR  42   7.173  -6.068  10.112
    5    HD1  TYR  42           HD1      TYR  42   4.221  -7.166   8.122
    6    HD2  TYR  42           HD2      TYR  42   5.801  -4.354  10.896
    7    HE1  TYR  42           HE1      TYR  42   1.978  -6.204   8.416
    8    HE2  TYR  42           HE2      TYR  42   3.561  -3.385  11.199
    9    HH   TYR  42           HH       TYR  42   1.227  -4.021  10.924

  No H/Q in entry =           9
  In of MODEL   30
    1    HA   PRO  43           HA       PRO  43   6.408  -8.384   4.563
    2    HB2  PRO  43           HB2      PRO  43   6.832 -10.987   5.202
    3    HB3  PRO  43           HB3      PRO  43   8.130  -9.902   4.688
    4    HG2  PRO  43           HG2      PRO  43   7.351 -10.748   7.453
    5    HG3  PRO  43           HG3      PRO  43   8.969 -10.599   6.742
    6    HD2  PRO  43           HD2      PRO  43   7.911  -8.706   8.363
    7    HD3  PRO  43           HD3      PRO  43   9.028  -8.314   7.040

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY  44           H        GLY  44   4.414  -9.022   3.958
    2    HA3  GLY  44           HA2      GLY  44   2.352  -9.263   5.899
    3    HA2  GLY  44           HA3      GLY  44   2.177  -9.513   4.168

  No H/Q in entry =           3
  In of MODEL   31
    1    H1   ALA   1           H3       ALA   1 -12.842  14.260   8.381
    2    H2   ALA   1           H2       ALA   1 -13.679  15.380   7.387
    3    H3   ALA   1           H1       ALA   1 -14.555  14.321   8.415
    4    HA   ALA   1           HA       ALA   1 -13.829  12.449   7.188
    5    HB1  ALA   1           HB1      ALA   1 -15.861  13.781   6.528
    6    HB2  ALA   1           HB2      ALA   1 -15.159  12.783   5.254
    7    HB3  ALA   1           HB3      ALA   1 -14.870  14.523   5.272

  No H/Q in entry =           7
  In of MODEL   31
    1    H    MET   2           H        MET   2 -13.313  12.204   4.569
    2    HA   MET   2           HA       MET   2 -10.862  13.653   3.946
    3    HB2  MET   2           HB2      MET   2 -11.015  10.727   4.560
    4    HB3  MET   2           HB3      MET   2  -9.861  11.297   3.362
    5    HG2  MET   2           HG2      MET   2  -8.505  11.485   5.131
    6    HG3  MET   2           HG3      MET   2  -9.348  13.015   5.368
    7    HE2  MET   2           HE1      MET   2  -8.710  10.041   8.436
    8    HE1  MET   2           HE2      MET   2  -7.788  10.548   7.020
    9    HE3  MET   2           HE3      MET   2  -8.970   9.246   6.883

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP   3           H        ASP   3 -10.024  12.991   1.740
    2    HA   ASP   3           HA       ASP   3 -12.185  12.079  -0.025
    3    HB2  ASP   3           HB2      ASP   3 -11.711  14.706   0.183
    4    HB3  ASP   3           HB3      ASP   3 -10.476  14.305  -1.007

  No H/Q in entry =           4
  In of MODEL   31
    1    H    CYS   4           H        CYS   4 -11.344  10.220  -0.755
    2    HA   CYS   4           HA       CYS   4  -9.980   8.761  -1.842
    3    HB2  CYS   4           HB2      CYS   4  -9.083  11.393  -2.966
    4    HB3  CYS   4           HB3      CYS   4  -8.220   9.919  -3.391

  No H/Q in entry =           4
  In of MODEL   31
    1    H    THR   5           H        THR   5  -8.670   7.599  -0.605
    2    HA   THR   5           HA       THR   5  -6.761   8.743   1.166
    3    HB   THR   5           HB       THR   5  -6.680   5.863   0.340
    4    HG1  THR   5           HG1      THR   5  -8.460   5.444   1.598
    5   HG21  THR   5          HG21      THR   5  -5.201   6.916   2.155
    6   HG23  THR   5          HG22      THR   5  -6.041   5.408   2.515
    7   HG22  THR   5          HG23      THR   5  -6.672   6.937   3.127

  No H/Q in entry =           7
  In of MODEL   31
    1    H    THR   6           H        THR   6  -5.078   9.808   0.297
    2    HA   THR   6           HA       THR   6  -3.732   8.817  -2.064
    3    HB   THR   6           HB       THR   6  -2.167  10.851  -1.308
    4    HG1  THR   6           HG1      THR   6  -2.985  11.940   0.263
    5   HG23  THR   6          HG21      THR   6  -3.030  11.767  -3.118
    6   HG22  THR   6          HG22      THR   6  -4.529  12.116  -2.257
    7   HG21  THR   6          HG23      THR   6  -4.328  10.574  -3.089

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY   7           H        GLY   7  -1.414   8.436  -2.130
    2    HA3  GLY   7           HA2      GLY   7   0.529   8.245  -0.407
    3    HA2  GLY   7           HA3      GLY   7  -0.532   7.033   0.294

  No H/Q in entry =           3
  In of MODEL   31
    1    HA   PRO   8           HA       PRO   8   2.211   4.977  -2.864
    2    HB2  PRO   8           HB2      PRO   8   3.230   3.071  -1.250
    3    HB3  PRO   8           HB3      PRO   8   3.925   4.693  -1.350
    4    HG2  PRO   8           HG2      PRO   8   2.083   3.545   0.711
    5    HG3  PRO   8           HG3      PRO   8   3.512   4.571   0.934
    6    HD2  PRO   8           HD2      PRO   8   0.960   5.527   0.998
    7    HD3  PRO   8           HD3      PRO   8   2.351   6.500   0.481

  No H/Q in entry =           7
  In of MODEL   31
    1    H    CYS   9           H        CYS   9   0.360   3.379  -0.267
    2    HA   CYS   9           HA       CYS   9  -0.326   1.181  -2.029
    3    HB2  CYS   9           HB2      CYS   9   0.196   0.731   0.329
    4    HB3  CYS   9           HB3      CYS   9  -1.158   1.740   0.826

  No H/Q in entry =           4
  In of MODEL   31
    1    H    CYS  10           H        CYS  10  -1.325   3.167  -3.329
    2    HA   CYS  10           HA       CYS  10  -4.214   3.023  -2.829
    3    HB2  CYS  10           HB2      CYS  10  -3.013   5.581  -3.839
    4    HB3  CYS  10           HB3      CYS  10  -4.567   5.317  -3.057

  No H/Q in entry =           4
  In of MODEL   31
    1    H    ARG  11           H        ARG  11  -5.411   2.647  -4.613
    2    HA   ARG  11           HA       ARG  11  -4.185   1.812  -6.994
    3    HB2  ARG  11           HB2      ARG  11  -6.528   1.252  -6.022
    4    HB3  ARG  11           HB3      ARG  11  -7.051   2.690  -6.888
    5    HG2  ARG  11           HG2      ARG  11  -5.468   0.761  -8.451
    6    HG3  ARG  11           HG3      ARG  11  -7.066   0.218  -7.936
    7    HD2  ARG  11           HD2      ARG  11  -7.753   1.256  -9.810
    8    HD3  ARG  11           HD3      ARG  11  -7.643   2.709  -8.818
    9    HE   ARG  11           HE       ARG  11  -5.864   3.393 -10.083
   10   HH11  ARG  11          HH11      ARG  11  -6.406  -0.007 -10.654
   11   HH12  ARG  11          HH12      ARG  11  -5.260  -0.100 -11.949
   12   HH21  ARG  11          HH21      ARG  11  -4.357   3.273 -11.786
   13   HH22  ARG  11          HH22      ARG  11  -4.096   1.762 -12.592

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  12           H        GLN  12  -5.571   4.862  -6.023
    2    HA   GLN  12           HA       GLN  12  -4.140   6.533  -7.609
    3    HB2  GLN  12           HB2      GLN  12  -6.199   5.151  -9.171
    4    HB3  GLN  12           HB3      GLN  12  -6.305   6.902  -9.286
    5    HG2  GLN  12           HG2      GLN  12  -3.611   6.395  -9.593
    6    HG3  GLN  12           HG3      GLN  12  -4.390   5.071 -10.458
    7   HE21  GLN  12          HE21      GLN  12  -2.974   7.791 -11.079
    8   HE22  GLN  12          HE22      GLN  12  -3.954   8.434 -12.348

  No H/Q in entry =           8
  In of MODEL   31
    1    H    CYS  13           H        CYS  13  -7.248   5.755  -6.259
    2    HA   CYS  13           HA       CYS  13  -7.393   8.353  -5.005
    3    HB2  CYS  13           HB2      CYS  13  -8.658   8.135  -7.423
    4    HB3  CYS  13           HB3      CYS  13  -9.949   7.700  -6.308

  No H/Q in entry =           4
  In of MODEL   31
    1    H    LYS  14           H        LYS  14  -7.185   5.472  -4.293
    2    HA   LYS  14           HA       LYS  14  -8.882   5.495  -2.041
    3    HB2  LYS  14           HB2      LYS  14 -10.442   4.886  -4.031
    4    HB3  LYS  14           HB3      LYS  14  -9.649   3.318  -3.962
    5    HG2  LYS  14           HG2      LYS  14 -10.518   2.827  -1.868
    6    HG3  LYS  14           HG3      LYS  14 -10.858   4.520  -1.505
    7    HD2  LYS  14           HD2      LYS  14 -12.248   3.378  -3.849
    8    HD3  LYS  14           HD3      LYS  14 -12.740   2.760  -2.271
    9    HE2  LYS  14           HE2      LYS  14 -14.100   4.679  -2.976
   10    HE3  LYS  14           HE3      LYS  14 -13.196   5.013  -1.500
   11    HZ2  LYS  14           HZ1      LYS  14 -13.195   6.817  -3.227
   12    HZ1  LYS  14           HZ2      LYS  14 -12.224   5.813  -4.181
   13    HZ3  LYS  14           HZ3      LYS  14 -11.669   6.341  -2.673

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  15           H        LEU  15  -8.825   3.308  -0.894
    2    HA   LEU  15           HA       LEU  15  -6.159   2.516  -0.566
    3    HB2  LEU  15           HB2      LEU  15  -8.762   1.278   0.294
    4    HB3  LEU  15           HB3      LEU  15  -7.215   0.562   0.703
    5    HG   LEU  15           HG       LEU  15  -8.054   3.356   1.475
    6   HD11  LEU  15          HD11      LEU  15  -8.454   0.725   2.758
    7   HD13  LEU  15          HD12      LEU  15  -9.407   2.205   2.875
    8   HD12  LEU  15          HD13      LEU  15  -7.913   2.042   3.799
    9   HD21  LEU  15          HD21      LEU  15  -5.713   1.656   2.326
   10   HD23  LEU  15          HD22      LEU  15  -6.120   3.247   2.968
   11   HD22  LEU  15          HD23      LEU  15  -5.642   3.074   1.280

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  16           H        LYS  16  -4.955   0.861  -1.351
    2    HA   LYS  16           HA       LYS  16  -5.767  -0.348  -3.806
    3    HB2  LYS  16           HB2      LYS  16  -3.329  -0.127  -2.227
    4    HB3  LYS  16           HB3      LYS  16  -3.510  -1.724  -2.939
    5    HG2  LYS  16           HG2      LYS  16  -3.543  -0.858  -5.127
    6    HG3  LYS  16           HG3      LYS  16  -3.785   0.792  -4.552
    7    HD2  LYS  16           HD2      LYS  16  -1.552   0.776  -3.557
    8    HD3  LYS  16           HD3      LYS  16  -1.311  -0.880  -4.118
    9    HE2  LYS  16           HE2      LYS  16  -2.069   1.180  -6.120
   10    HE3  LYS  16           HE3      LYS  16  -0.425   1.210  -5.485
   11    HZ3  LYS  16           HZ1      LYS  16  -0.481  -0.125  -7.451
   12    HZ2  LYS  16           HZ2      LYS  16  -1.757  -1.062  -6.856
   13    HZ1  LYS  16           HZ3      LYS  16  -0.232  -1.151  -6.129

  No H/Q in entry =          13
  In of MODEL   31
    1    HA   PRO  17           HA       PRO  17  -7.651  -4.115  -2.528
    2    HB2  PRO  17           HB2      PRO  17  -6.344  -5.949  -4.136
    3    HB3  PRO  17           HB3      PRO  17  -7.713  -4.955  -4.644
    4    HG2  PRO  17           HG2      PRO  17  -4.791  -4.539  -5.104
    5    HG3  PRO  17           HG3      PRO  17  -6.153  -4.253  -6.203
    6    HD2  PRO  17           HD2      PRO  17  -4.938  -2.236  -4.918
    7    HD3  PRO  17           HD3      PRO  17  -6.690  -2.228  -5.211

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ALA  18           H        ALA  18  -7.330  -5.285  -0.752
    2    HA   ALA  18           HA       ALA  18  -4.972  -5.449   0.664
    3    HB1  ALA  18           HB1      ALA  18  -7.477  -6.098   1.243
    4    HB3  ALA  18           HB2      ALA  18  -6.112  -6.721   2.170
    5    HB2  ALA  18           HB3      ALA  18  -6.863  -7.721   0.927

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  19           H        GLY  19  -3.105  -6.385   0.183
    2    HA3  GLY  19           HA2      GLY  19  -1.923  -8.507  -0.052
    3    HA2  GLY  19           HA3      GLY  19  -3.164  -8.996  -1.196

  No H/Q in entry =           3
  In of MODEL   31
    1    H    THR  20           H        THR  20  -1.988  -5.752  -1.349
    2    HA   THR  20           HA       THR  20  -0.503  -6.444  -3.796
    3    HB   THR  20           HB       THR  20  -1.893  -3.854  -3.080
    4    HG1  THR  20           HG1      THR  20  -2.555  -5.816  -5.017
    5   HG22  THR  20          HG21      THR  20  -0.922  -4.532  -5.814
    6   HG21  THR  20          HG22      THR  20   0.172  -3.796  -4.642
    7   HG23  THR  20          HG23      THR  20  -1.308  -2.960  -5.113

  No H/Q in entry =           7
  In of MODEL   31
    1    H    THR  21           H        THR  21   1.622  -6.322  -3.570
    2    HA   THR  21           HA       THR  21   2.948  -5.191  -1.382
    3    HB   THR  21           HB       THR  21   4.084  -6.870  -2.606
    4    HG1  THR  21           HG1      THR  21   5.373  -4.458  -3.341
    5   HG23  THR  21          HG21      THR  21   3.982  -7.137  -4.794
    6   HG22  THR  21          HG22      THR  21   4.733  -5.565  -5.064
    7   HG21  THR  21          HG23      THR  21   2.982  -5.688  -4.890

  No H/Q in entry =           7
  In of MODEL   31
    1    H    CYS  22           H        CYS  22   4.111  -3.294  -1.108
    2    HA   CYS  22           HA       CYS  22   3.133  -1.040  -2.639
    3    HB2  CYS  22           HB2      CYS  22   4.980  -1.180  -0.248
    4    HB3  CYS  22           HB3      CYS  22   4.388   0.312  -0.970

  No H/Q in entry =           4
  In of MODEL   31
    1    H    TRP  23           H        TRP  23   6.411  -1.941  -1.556
    2    HA   TRP  23           HA       TRP  23   7.455  -0.782  -4.049
    3    HB2  TRP  23           HB2      TRP  23   8.289   0.248  -1.974
    4    HB3  TRP  23           HB3      TRP  23   8.883  -1.319  -1.435
    5    HD1  TRP  23           HD1      TRP  23   9.367   0.621  -4.776
    6    HE1  TRP  23           HE1      TRP  23  11.886   0.655  -5.303
    7    HE3  TRP  23           HE3      TRP  23  11.092  -1.877  -0.661
    8    HZ2  TRP  23           HZ2      TRP  23  14.286  -0.257  -4.130
    9    HZ3  TRP  23           HZ3      TRP  23  13.513  -2.255  -0.440
   10    HH2  TRP  23           HH2      TRP  23  15.076  -1.461  -2.140

  No H/Q in entry =          10
  In of MODEL   31
    1    H    ARG  24           H        ARG  24   8.955  -1.903  -5.295
    2    HA   ARG  24           HA       ARG  24   9.079  -4.796  -4.757
    3    HB2  ARG  24           HB2      ARG  24   8.761  -3.211  -7.257
    4    HB3  ARG  24           HB3      ARG  24   9.672  -4.711  -7.355
    5    HG2  ARG  24           HG2      ARG  24   7.797  -5.974  -6.561
    6    HG3  ARG  24           HG3      ARG  24   6.885  -4.498  -6.240
    7    HD2  ARG  24           HD2      ARG  24   7.236  -4.019  -8.757
    8    HD3  ARG  24           HD3      ARG  24   7.615  -5.737  -8.868
    9    HE   ARG  24           HE       ARG  24   5.257  -5.716  -7.550
   10   HH11  ARG  24          HH11      ARG  24   6.332  -4.245 -10.526
   11   HH12  ARG  24          HH12      ARG  24   4.766  -4.300 -11.265
   12   HH21  ARG  24          HH21      ARG  24   3.198  -5.790  -8.519
   13   HH22  ARG  24          HH22      ARG  24   2.987  -5.176 -10.126

  No H/Q in entry =          13
  In of MODEL   31
    1    H    THR  25           H        THR  25  11.017  -5.876  -4.917
    2    HA   THR  25           HA       THR  25  13.393  -4.835  -5.984
    3    HB   THR  25           HB       THR  25  13.453  -3.225  -4.242
    4    HG1  THR  25           HG1      THR  25  15.036  -5.374  -3.297
    5   HG22  THR  25          HG21      THR  25  13.525  -4.198  -1.800
    6   HG21  THR  25          HG22      THR  25  12.482  -5.429  -2.513
    7   HG23  THR  25          HG23      THR  25  12.007  -3.731  -2.565

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  26           H        SER  26  15.302  -6.165  -5.411
    2    HA   SER  26           HA       SER  26  14.467  -8.924  -4.998
    3    HB2  SER  26           HB2      SER  26  16.060  -8.028  -6.871
    4    HB3  SER  26           HB3      SER  26  17.289  -8.106  -5.609
    5    HG   SER  26           HG       SER  26  16.173 -10.109  -7.048

  No H/Q in entry =           5
  In of MODEL   31
    1    H    VAL  27           H        VAL  27  14.180  -7.683  -2.662
    2    HA   VAL  27           HA       VAL  27  16.196  -8.958  -1.015
    3    HB   VAL  27           HB       VAL  27  15.593  -6.034  -0.586
    4   HG13  VAL  27          HG11      VAL  27  16.939  -6.111   1.246
    5   HG12  VAL  27          HG12      VAL  27  17.935  -7.414   0.598
    6   HG11  VAL  27          HG13      VAL  27  16.347  -7.772   1.275
    7   HG22  VAL  27          HG21      VAL  27  16.871  -6.210  -2.613
    8   HG21  VAL  27          HG22      VAL  27  17.999  -7.334  -1.855
    9   HG23  VAL  27          HG23      VAL  27  17.937  -5.653  -1.324

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  28           H        SER  28  13.320  -6.898  -1.067
    2    HA   SER  28           HA       SER  28  11.951  -8.703   0.721
    3    HB2  SER  28           HB2      SER  28  12.844  -5.974   1.591
    4    HB3  SER  28           HB3      SER  28  11.333  -6.638   2.211
    5    HG   SER  28           HG       SER  28  13.900  -7.273   2.853

  No H/Q in entry =           5
  In of MODEL   31
    1    H    SER  29           H        SER  29   9.717  -7.539   1.328
    2    HA   SER  29           HA       SER  29   8.720  -5.899  -0.850
    3    HB2  SER  29           HB2      SER  29   8.544  -8.301  -1.615
    4    HB3  SER  29           HB3      SER  29   7.416  -8.568  -0.286
    5    HG   SER  29           HG       SER  29   6.492  -8.004  -2.407

  No H/Q in entry =           5
  In of MODEL   31
    1    H    HIS  30           H        HIS  30   6.814  -4.812  -0.360
    2    HA   HIS  30           HA       HIS  30   5.990  -5.004   2.459
    3    HB2  HIS  30           HB2      HIS  30   6.036  -2.687   0.531
    4    HB3  HIS  30           HB3      HIS  30   5.113  -2.636   2.030
    5    HD1  HIS  30           HD1      HIS  30   6.384  -2.175   4.165
    6    HD2  HIS  30           HD2      HIS  30   8.875  -2.805   0.900
    7    HE1  HIS  30           HE1      HIS  30   8.690  -1.555   4.950
    8    HE2  HIS  30           HE2      HIS  30  10.194  -2.027   2.984

  No H/Q in entry =           8
  In of MODEL   31
    1    H    TYR  31           H        TYR  31   4.518  -6.730   1.943
    2    HA   TYR  31           HA       TYR  31   2.416  -6.437   0.068
    3    HB2  TYR  31           HB2      TYR  31   2.995  -8.299   2.333
    4    HB3  TYR  31           HB3      TYR  31   1.372  -8.277   1.650
    5    HD1  TYR  31           HD1      TYR  31   4.470  -9.838   1.466
    6    HD2  TYR  31           HD2      TYR  31   1.376  -8.338  -1.040
    7    HE1  TYR  31           HE1      TYR  31   5.218 -11.331  -0.340
    8    HE2  TYR  31           HE2      TYR  31   2.115  -9.827  -2.853
    9    HH   TYR  31           HH       TYR  31   3.362 -11.897  -3.144

  No H/Q in entry =           9
  In of MODEL   31
    1    H    CYS  32           H        CYS  32   0.886  -4.938   0.190
    2    HA   CYS  32           HA       CYS  32   0.157  -3.654   2.632
    3    HB2  CYS  32           HB2      CYS  32   0.042  -2.855   0.091
    4    HB3  CYS  32           HB3      CYS  32  -1.603  -3.464   0.236

  No H/Q in entry =           4
  In of MODEL   31
    1    H    THR  33           H        THR  33  -1.778  -3.770   3.778
    2    HA   THR  33           HA       THR  33  -3.155  -6.335   3.533
    3    HB   THR  33           HB       THR  33  -2.370  -5.913   5.735
    4    HG1  THR  33           HG1      THR  33  -5.108  -5.190   5.764
    5   HG22  THR  33          HG21      THR  33  -3.132  -3.930   7.039
    6   HG21  THR  33          HG22      THR  33  -3.685  -3.221   5.523
    7   HG23  THR  33          HG23      THR  33  -1.973  -3.574   5.758

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY  34           H        GLY  34  -3.604  -3.647   1.974
    2    HA3  GLY  34           HA2      GLY  34  -5.392  -2.509   1.091
    3    HA2  GLY  34           HA3      GLY  34  -6.265  -4.015   1.328

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ARG  35           H        ARG  35  -4.931  -2.334   4.060
    2    HA   ARG  35           HA       ARG  35  -7.665  -1.665   4.910
    3    HB2  ARG  35           HB2      ARG  35  -6.091  -3.253   6.254
    4    HB3  ARG  35           HB3      ARG  35  -5.315  -1.763   6.771
    5    HG2  ARG  35           HG2      ARG  35  -7.476  -0.964   7.636
    6    HG3  ARG  35           HG3      ARG  35  -8.207  -2.501   7.170
    7    HD2  ARG  35           HD2      ARG  35  -7.212  -3.645   8.863
    8    HD3  ARG  35           HD3      ARG  35  -5.773  -2.626   8.850
    9    HE   ARG  35           HE       ARG  35  -6.742  -1.310  10.445
   10   HH11  ARG  35          HH11      ARG  35  -9.225  -3.249   8.945
   11   HH12  ARG  35          HH12      ARG  35 -10.458  -2.753  10.055
   12   HH21  ARG  35          HH21      ARG  35  -8.362  -0.657  11.907
   13   HH22  ARG  35          HH22      ARG  35  -9.968  -1.282  11.737

  No H/Q in entry =          13
  In of MODEL   31
    1    H    SER  36           H        SER  36  -4.422  -0.400   4.505
    2    HA   SER  36           HA       SER  36  -5.494   2.307   4.613
    3    HB2  SER  36           HB2      SER  36  -3.497   3.003   6.044
    4    HB3  SER  36           HB3      SER  36  -4.780   2.119   6.871
    5    HG   SER  36           HG       SER  36  -2.198   1.288   6.176

  No H/Q in entry =           5
  In of MODEL   31
    1    H    CYS  37           H        CYS  37  -4.204   3.855   3.529
    2    HA   CYS  37           HA       CYS  37  -2.736   2.791   1.329
    3    HB2  CYS  37           HB2      CYS  37  -3.722   5.425   2.182
    4    HB3  CYS  37           HB3      CYS  37  -2.217   5.480   1.270

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLU  38           H        GLU  38  -1.886   3.910   4.475
    2    HA   GLU  38           HA       GLU  38   0.873   4.457   3.827
    3    HB2  GLU  38           HB2      GLU  38  -0.808   4.533   6.283
    4    HB3  GLU  38           HB3      GLU  38   0.928   4.349   6.491
    5    HG2  GLU  38           HG2      GLU  38   1.151   6.383   4.970
    6    HG3  GLU  38           HG3      GLU  38  -0.574   6.622   5.243

  No H/Q in entry =           6
  In of MODEL   31
    1    H    CYS  39           H        CYS  39   1.993   2.712   3.161
    2    HA   CYS  39           HA       CYS  39   1.595   0.068   3.972
    3    HB2  CYS  39           HB2      CYS  39   4.230   1.221   3.051
    4    HB3  CYS  39           HB3      CYS  39   3.668  -0.439   2.883

  No H/Q in entry =           4
  In of MODEL   31
    1    HA   PRO  40           HA       PRO  40   3.439  -0.148   7.976
    2    HB2  PRO  40           HB2      PRO  40   4.251  -2.733   8.027
    3    HB3  PRO  40           HB3      PRO  40   2.550  -2.264   8.129
    4    HG2  PRO  40           HG2      PRO  40   4.110  -3.226   5.762
    5    HG3  PRO  40           HG3      PRO  40   2.474  -3.674   6.281
    6    HD2  PRO  40           HD2      PRO  40   2.940  -1.887   4.297
    7    HD3  PRO  40           HD3      PRO  40   1.531  -1.779   5.371

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  41           H        SER  41   5.510  -1.026   9.069
    2    HA   SER  41           HA       SER  41   7.762  -0.003   7.543
    3    HB2  SER  41           HB2      SER  41   8.960   0.013   9.648
    4    HB3  SER  41           HB3      SER  41   7.361   0.712   9.903
    5    HG   SER  41           HG       SER  41   6.749  -1.484  10.591

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  42           H        TYR  42   6.574  -3.023   8.835
    2    HA   TYR  42           HA       TYR  42   9.041  -4.430   8.248
    3    HB2  TYR  42           HB2      TYR  42   7.816  -6.425   9.056
    4    HB3  TYR  42           HB3      TYR  42   7.783  -5.102  10.217
    5    HD1  TYR  42           HD1      TYR  42   5.772  -6.836   7.629
    6    HD2  TYR  42           HD2      TYR  42   5.737  -4.210  10.976
    7    HE1  TYR  42           HE1      TYR  42   3.318  -6.973   7.703
    8    HE2  TYR  42           HE2      TYR  42   3.283  -4.340  11.060
    9    HH   TYR  42           HH       TYR  42   1.503  -6.652   9.319

  No H/Q in entry =           9
  In of MODEL   31
    1    HA   PRO  43           HA       PRO  43   8.270  -5.651   4.091
    2    HB2  PRO  43           HB2      PRO  43   8.938  -8.412   4.979
    3    HB3  PRO  43           HB3      PRO  43   9.623  -7.459   3.659
    4    HG2  PRO  43           HG2      PRO  43  10.980  -7.815   5.921
    5    HG3  PRO  43           HG3      PRO  43  11.017  -6.258   5.072
    6    HD2  PRO  43           HD2      PRO  43   9.538  -7.036   7.546
    7    HD3  PRO  43           HD3      PRO  43  10.303  -5.490   7.126

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY  44           H        GLY  44   7.345  -8.386   6.163
    2    HA3  GLY  44           HA2      GLY  44   4.556  -8.106   5.498
    3    HA2  GLY  44           HA3      GLY  44   5.328  -9.462   4.690

  No H/Q in entry =           3
  In of MODEL   32
    1    H1   ALA   1           H3       ALA   1 -12.604  15.516   6.718
    2    H2   ALA   1           H2       ALA   1 -14.152  15.378   7.446
    3    H3   ALA   1           H1       ALA   1 -13.079  14.039   7.447
    4    HA   ALA   1           HA       ALA   1 -14.751  13.709   5.839
    5    HB2  ALA   1           HB1      ALA   1 -15.474  15.267   4.368
    6    HB3  ALA   1           HB2      ALA   1 -13.876  15.985   4.172
    7    HB1  ALA   1           HB3      ALA   1 -14.849  16.374   5.591

  No H/Q in entry =           7
  In of MODEL   32
    1    H    MET   2           H        MET   2 -14.291  12.622   3.883
    2    HA   MET   2           HA       MET   2 -11.584  11.772   3.639
    3    HB2  MET   2           HB2      MET   2 -13.935  10.609   3.056
    4    HB3  MET   2           HB3      MET   2 -13.499  11.180   1.452
    5    HG2  MET   2           HG2      MET   2 -11.177  10.047   2.191
    6    HG3  MET   2           HG3      MET   2 -12.313   9.048   3.095
    7    HE3  MET   2           HE1      MET   2 -10.331   8.512  -0.034
    8    HE2  MET   2           HE2      MET   2 -11.207   6.981  -0.053
    9    HE1  MET   2           HE3      MET   2 -10.603   7.632   1.470

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP   3           H        ASP   3 -10.378  11.774   1.576
    2    HA   ASP   3           HA       ASP   3 -10.984  13.797  -0.371
    3    HB2  ASP   3           HB2      ASP   3  -8.927  15.126   0.022
    4    HB3  ASP   3           HB3      ASP   3 -10.066  15.232   1.361

  No H/Q in entry =           4
  In of MODEL   32
    1    H    CYS   4           H        CYS   4 -10.513  10.982  -0.409
    2    HA   CYS   4           HA       CYS   4  -9.413   9.409  -1.628
    3    HB2  CYS   4           HB2      CYS   4  -8.464  11.899  -3.044
    4    HB3  CYS   4           HB3      CYS   4  -8.042  10.279  -3.586

  No H/Q in entry =           4
  In of MODEL   32
    1    H    THR   5           H        THR   5  -7.965   8.278  -0.515
    2    HA   THR   5           HA       THR   5  -5.760   9.382   0.849
    3    HB   THR   5           HB       THR   5  -5.481   6.552   0.148
    4    HG1  THR   5           HG1      THR   5  -7.880   7.475   1.339
    5   HG23  THR   5          HG21      THR   5  -4.363   7.528   2.076
    6   HG22  THR   5          HG22      THR   5  -5.473   6.244   2.555
    7   HG21  THR   5          HG23      THR   5  -5.927   7.933   2.782

  No H/Q in entry =           7
  In of MODEL   32
    1    H    THR   6           H        THR   6  -3.541   9.295   0.413
    2    HA   THR   6           HA       THR   6  -2.823   8.715  -2.384
    3    HB   THR   6           HB       THR   6  -1.296  10.628  -2.355
    4    HG1  THR   6           HG1      THR   6  -2.397  11.203   0.192
    5   HG21  THR   6          HG21      THR   6  -3.732  10.939  -2.987
    6   HG23  THR   6          HG22      THR   6  -2.820  12.386  -2.556
    7   HG22  THR   6          HG23      THR   6  -3.935  11.667  -1.393

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY   7           H        GLY   7  -1.150   7.381  -2.648
    2    HA3  GLY   7           HA2      GLY   7   1.247   7.241  -1.433
    3    HA2  GLY   7           HA3      GLY   7   0.221   6.371  -0.303

  No H/Q in entry =           3
  In of MODEL   32
    1    HA   PRO   8           HA       PRO   8   1.678   3.360  -3.516
    2    HB2  PRO   8           HB2      PRO   8   2.825   1.573  -1.876
    3    HB3  PRO   8           HB3      PRO   8   3.672   3.035  -2.397
    4    HG2  PRO   8           HG2      PRO   8   2.280   2.471   0.190
    5    HG3  PRO   8           HG3      PRO   8   3.824   3.292  -0.094
    6    HD2  PRO   8           HD2      PRO   8   1.451   4.594   0.374
    7    HD3  PRO   8           HD3      PRO   8   2.813   5.300  -0.518

  No H/Q in entry =           7
  In of MODEL   32
    1    H    CYS   9           H        CYS   9   0.359   2.539  -0.302
    2    HA   CYS   9           HA       CYS   9  -0.820   0.106  -1.070
    3    HB2  CYS   9           HB2      CYS   9  -0.768   1.789   1.275
    4    HB3  CYS   9           HB3      CYS   9  -2.390   1.158   1.011

  No H/Q in entry =           4
  In of MODEL   32
    1    H    CYS  10           H        CYS  10  -1.959   3.416  -1.241
    2    HA   CYS  10           HA       CYS  10  -4.544   2.481  -2.266
    3    HB2  CYS  10           HB2      CYS  10  -5.340   4.764  -1.913
    4    HB3  CYS  10           HB3      CYS  10  -4.644   4.112  -0.435

  No H/Q in entry =           4
  In of MODEL   32
    1    H    ARG  11           H        ARG  11  -5.314   3.098  -4.276
    2    HA   ARG  11           HA       ARG  11  -3.323   3.523  -6.270
    3    HB2  ARG  11           HB2      ARG  11  -6.212   2.969  -6.197
    4    HB3  ARG  11           HB3      ARG  11  -5.690   3.925  -7.577
    5    HG2  ARG  11           HG2      ARG  11  -4.045   1.561  -6.990
    6    HG3  ARG  11           HG3      ARG  11  -5.698   1.232  -7.512
    7    HD2  ARG  11           HD2      ARG  11  -4.771   1.381  -9.567
    8    HD3  ARG  11           HD3      ARG  11  -5.026   3.106  -9.309
    9    HE   ARG  11           HE       ARG  11  -2.494   2.257  -8.321
   10   HH11  ARG  11          HH11      ARG  11  -4.208   3.089 -11.245
   11   HH12  ARG  11          HH12      ARG  11  -2.779   3.576 -12.093
   12   HH21  ARG  11          HH21      ARG  11  -0.613   2.897  -9.435
   13   HH22  ARG  11          HH22      ARG  11  -0.738   3.467 -11.066

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  12           H        GLN  12  -6.329   5.381  -6.127
    2    HA   GLN  12           HA       GLN  12  -4.791   7.869  -6.034
    3    HB2  GLN  12           HB2      GLN  12  -5.464   6.978  -8.436
    4    HB3  GLN  12           HB3      GLN  12  -7.011   7.698  -8.013
    5    HG2  GLN  12           HG2      GLN  12  -6.157   9.568  -8.869
    6    HG3  GLN  12           HG3      GLN  12  -5.277   9.687  -7.346
    7   HE21  GLN  12          HE21      GLN  12  -3.096   9.158  -7.285
    8   HE22  GLN  12          HE22      GLN  12  -2.141   9.017  -8.718

  No H/Q in entry =           8
  In of MODEL   32
    1    H    CYS  13           H        CYS  13  -7.051   6.163  -4.567
    2    HA   CYS  13           HA       CYS  13  -8.194   8.336  -3.214
    3    HB2  CYS  13           HB2      CYS  13  -9.379   8.457  -5.479
    4    HB3  CYS  13           HB3      CYS  13 -10.209   6.983  -4.995

  No H/Q in entry =           4
  In of MODEL   32
    1    H    LYS  14           H        LYS  14  -8.316   4.929  -4.068
    2    HA   LYS  14           HA       LYS  14  -9.331   4.397  -1.358
    3    HB2  LYS  14           HB2      LYS  14 -10.854   3.952  -3.522
    4    HB3  LYS  14           HB3      LYS  14  -9.962   2.436  -3.494
    5    HG2  LYS  14           HG2      LYS  14 -10.744   1.942  -1.286
    6    HG3  LYS  14           HG3      LYS  14 -11.487   3.537  -1.145
    7    HD2  LYS  14           HD2      LYS  14 -12.931   2.925  -3.109
    8    HD3  LYS  14           HD3      LYS  14 -12.294   1.285  -2.978
    9    HE2  LYS  14           HE2      LYS  14 -14.157   1.042  -1.696
   10    HE3  LYS  14           HE3      LYS  14 -13.041   1.606  -0.453
   11    HZ3  LYS  14           HZ1      LYS  14 -13.911   3.796  -0.625
   12    HZ2  LYS  14           HZ2      LYS  14 -15.232   2.750  -0.475
   13    HZ1  LYS  14           HZ3      LYS  14 -14.838   3.402  -1.985

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  15           H        LEU  15  -8.445   2.673  -0.273
    2    HA   LEU  15           HA       LEU  15  -5.797   1.997  -0.798
    3    HB2  LEU  15           HB2      LEU  15  -6.249   0.090   0.837
    4    HB3  LEU  15           HB3      LEU  15  -6.507   1.726   1.413
    5    HG   LEU  15           HG       LEU  15  -8.900   0.443   0.281
    6   HD11  LEU  15          HD11      LEU  15  -7.293  -0.919   2.293
    7   HD13  LEU  15          HD12      LEU  15  -8.649  -1.509   1.332
    8   HD12  LEU  15          HD13      LEU  15  -8.947  -0.603   2.815
    9   HD23  LEU  15          HD21      LEU  15  -9.485   1.305   2.798
   10   HD22  LEU  15          HD22      LEU  15  -9.585   2.294   1.342
   11   HD21  LEU  15          HD23      LEU  15  -8.146   2.365   2.358

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  16           H        LYS  16  -4.895   0.645  -2.208
    2    HA   LYS  16           HA       LYS  16  -6.335  -0.788  -4.109
    3    HB2  LYS  16           HB2      LYS  16  -3.481  -1.128  -3.171
    4    HB3  LYS  16           HB3      LYS  16  -4.147  -1.927  -4.588
    5    HG2  LYS  16           HG2      LYS  16  -4.041  -0.072  -5.846
    6    HG3  LYS  16           HG3      LYS  16  -4.520   0.985  -4.516
    7    HD2  LYS  16           HD2      LYS  16  -2.393   1.453  -3.973
    8    HD3  LYS  16           HD3      LYS  16  -1.878  -0.223  -4.170
    9    HE2  LYS  16           HE2      LYS  16  -2.198   1.875  -6.304
   10    HE3  LYS  16           HE3      LYS  16  -0.714   1.075  -5.791
   11    HZ2  LYS  16           HZ1      LYS  16  -2.753   0.175  -7.625
   12    HZ1  LYS  16           HZ2      LYS  16  -2.252  -1.004  -6.521
   13    HZ3  LYS  16           HZ3      LYS  16  -1.119  -0.253  -7.526

  No H/Q in entry =          13
  In of MODEL   32
    1    HA   PRO  17           HA       PRO  17  -7.606  -4.614  -2.338
    2    HB2  PRO  17           HB2      PRO  17  -6.551  -6.434  -4.161
    3    HB3  PRO  17           HB3      PRO  17  -8.101  -5.605  -4.322
    4    HG2  PRO  17           HG2      PRO  17  -5.461  -4.947  -5.550
    5    HG3  PRO  17           HG3      PRO  17  -7.087  -4.828  -6.248
    6    HD2  PRO  17           HD2      PRO  17  -5.782  -2.655  -5.392
    7    HD3  PRO  17           HD3      PRO  17  -7.537  -2.819  -5.172

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ALA  18           H        ALA  18  -6.865  -6.054  -0.858
    2    HA   ALA  18           HA       ALA  18  -4.347  -5.864   0.238
    3    HB3  ALA  18           HB1      ALA  18  -6.036  -8.356   0.336
    4    HB1  ALA  18           HB2      ALA  18  -6.367  -6.907   1.286
    5    HB2  ALA  18           HB3      ALA  18  -4.864  -7.798   1.530

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  19           H        GLY  19  -2.439  -6.271  -0.666
    2    HA3  GLY  19           HA2      GLY  19  -1.136  -8.426  -1.249
    3    HA2  GLY  19           HA3      GLY  19  -2.233  -8.460  -2.621

  No H/Q in entry =           3
  In of MODEL   32
    1    H    THR  20           H        THR  20  -1.958  -5.324  -2.352
    2    HA   THR  20           HA       THR  20  -0.060  -5.075  -4.457
    3    HB   THR  20           HB       THR  20  -1.008  -2.750  -2.814
    4    HG1  THR  20           HG1      THR  20  -2.962  -3.442  -3.142
    5   HG22  THR  20          HG21      THR  20  -1.307  -2.539  -5.664
    6   HG21  THR  20          HG22      THR  20   0.350  -2.957  -5.229
    7   HG23  THR  20          HG23      THR  20  -0.405  -1.517  -4.545

  No H/Q in entry =           7
  In of MODEL   32
    1    H    THR  21           H        THR  21   2.068  -5.099  -4.239
    2    HA   THR  21           HA       THR  21   3.350  -4.869  -1.710
    3    HB   THR  21           HB       THR  21   5.258  -4.545  -3.790
    4    HG1  THR  21           HG1      THR  21   3.387  -6.591  -4.366
    5   HG21  THR  21          HG21      THR  21   4.410  -6.952  -2.207
    6   HG23  THR  21          HG22      THR  21   5.731  -5.841  -1.847
    7   HG22  THR  21          HG23      THR  21   5.826  -6.895  -3.258

  No H/Q in entry =           7
  In of MODEL   32
    1    H    CYS  22           H        CYS  22   4.770  -3.283  -0.963
    2    HA   CYS  22           HA       CYS  22   4.069  -0.604  -1.787
    3    HB2  CYS  22           HB2      CYS  22   4.668  -1.704   0.636
    4    HB3  CYS  22           HB3      CYS  22   6.199  -0.938   0.224

  No H/Q in entry =           4
  In of MODEL   32
    1    H    TRP  23           H        TRP  23   6.785  -2.780  -2.048
    2    HA   TRP  23           HA       TRP  23   8.087  -0.875  -3.843
    3    HB2  TRP  23           HB2      TRP  23   9.026  -0.986  -1.360
    4    HB3  TRP  23           HB3      TRP  23   9.851  -2.407  -1.994
    5    HD1  TRP  23           HD1      TRP  23   9.308   0.662  -4.211
    6    HE1  TRP  23           HE1      TRP  23  11.597   1.719  -4.728
    7    HE3  TRP  23           HE3      TRP  23  12.224  -2.144  -1.086
    8    HZ2  TRP  23           HZ2      TRP  23  14.283   1.405  -3.919
    9    HZ3  TRP  23           HZ3      TRP  23  14.644  -1.702  -1.018
   10    HH2  TRP  23           HH2      TRP  23  15.651   0.036  -2.406

  No H/Q in entry =          10
  In of MODEL   32
    1    H    ARG  24           H        ARG  24   8.802  -4.049  -2.425
    2    HA   ARG  24           HA       ARG  24   9.282  -6.069  -3.355
    3    HB2  ARG  24           HB2      ARG  24   6.980  -5.370  -4.483
    4    HB3  ARG  24           HB3      ARG  24   7.977  -5.324  -5.930
    5    HG2  ARG  24           HG2      ARG  24   8.698  -7.662  -5.400
    6    HG3  ARG  24           HG3      ARG  24   7.482  -7.673  -4.120
    7    HD2  ARG  24           HD2      ARG  24   5.732  -7.697  -5.594
    8    HD3  ARG  24           HD3      ARG  24   6.639  -6.859  -6.852
    9    HE   ARG  24           HE       ARG  24   6.461  -9.691  -6.445
   10   HH11  ARG  24          HH11      ARG  24   8.443  -7.126  -7.738
   11   HH12  ARG  24          HH12      ARG  24   9.266  -8.158  -8.859
   12   HH21  ARG  24          HH21      ARG  24   7.542 -11.050  -7.918
   13   HH22  ARG  24          HH22      ARG  24   8.755 -10.385  -8.962

  No H/Q in entry =          13
  In of MODEL   32
    1    H    THR  25           H        THR  25  11.396  -6.277  -3.731
    2    HA   THR  25           HA       THR  25  12.408  -5.626  -6.374
    3    HB   THR  25           HB       THR  25  14.438  -4.514  -5.391
    4    HG1  THR  25           HG1      THR  25  14.600  -4.405  -3.320
    5   HG23  THR  25          HG21      THR  25  13.543  -2.372  -5.281
    6   HG22  THR  25          HG22      THR  25  12.005  -2.946  -4.638
    7   HG21  THR  25          HG23      THR  25  12.426  -3.253  -6.323

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  26           H        SER  26  11.838  -8.081  -5.060
    2    HA   SER  26           HA       SER  26  12.770 -10.166  -5.034
    3    HB2  SER  26           HB2      SER  26  14.452  -9.127  -6.694
    4    HB3  SER  26           HB3      SER  26  15.528  -8.991  -5.304
    5    HG   SER  26           HG       SER  26  14.274 -11.424  -6.019

  No H/Q in entry =           5
  In of MODEL   32
    1    H    VAL  27           H        VAL  27  14.961  -7.870  -3.442
    2    HA   VAL  27           HA       VAL  27  15.379  -9.678  -1.228
    3    HB   VAL  27           HB       VAL  27  16.273  -6.804  -1.445
    4   HG13  VAL  27          HG11      VAL  27  17.577  -7.161   0.377
    5   HG12  VAL  27          HG12      VAL  27  17.817  -8.869   0.009
    6   HG11  VAL  27          HG13      VAL  27  16.307  -8.329   0.743
    7   HG21  VAL  27          HG21      VAL  27  16.991  -8.257  -3.375
    8   HG23  VAL  27          HG22      VAL  27  17.879  -9.234  -2.206
    9   HG22  VAL  27          HG23      VAL  27  18.300  -7.537  -2.439

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  28           H        SER  28  13.464  -6.843  -1.934
    2    HA   SER  28           HA       SER  28  12.362  -6.957   0.797
    3    HB2  SER  28           HB2      SER  28  11.850  -4.574   0.612
    4    HB3  SER  28           HB3      SER  28  13.570  -4.847   0.340
    5    HG   SER  28           HG       SER  28  13.303  -3.906  -1.506

  No H/Q in entry =           5
  In of MODEL   32
    1    H    SER  29           H        SER  29  10.081  -6.361   0.988
    2    HA   SER  29           HA       SER  29   8.344  -6.129  -1.202
    3    HB2  SER  29           HB2      SER  29   7.287  -8.489  -0.863
    4    HB3  SER  29           HB3      SER  29   8.714  -8.331  -1.887
    5    HG   SER  29           HG       SER  29   9.313  -9.918  -0.579

  No H/Q in entry =           5
  In of MODEL   32
    1    H    HIS  30           H        HIS  30   6.734  -5.028  -0.322
    2    HA   HIS  30           HA       HIS  30   5.746  -5.850   2.329
    3    HB2  HIS  30           HB2      HIS  30   6.062  -3.029   1.282
    4    HB3  HIS  30           HB3      HIS  30   5.269  -3.457   2.795
    5    HD1  HIS  30           HD1      HIS  30   6.783  -2.832   4.639
    6    HD2  HIS  30           HD2      HIS  30   8.854  -4.494   1.444
    7    HE1  HIS  30           HE1      HIS  30   9.184  -2.944   5.380
    8    HE2  HIS  30           HE2      HIS  30  10.403  -4.035   3.463

  No H/Q in entry =           8
  In of MODEL   32
    1    H    TYR  31           H        TYR  31   4.041  -7.033   1.469
    2    HA   TYR  31           HA       TYR  31   2.280  -6.051  -0.521
    3    HB2  TYR  31           HB2      TYR  31   1.798  -8.191   1.563
    4    HB3  TYR  31           HB3      TYR  31   0.834  -7.931   0.113
    5    HD1  TYR  31           HD1      TYR  31   2.068  -8.129  -2.151
    6    HD2  TYR  31           HD2      TYR  31   3.611  -9.652   1.509
    7    HE1  TYR  31           HE1      TYR  31   3.546  -9.638  -3.410
    8    HE2  TYR  31           HE2      TYR  31   5.094 -11.165   0.261
    9    HH   TYR  31           HH       TYR  31   4.762 -12.141  -2.576

  No H/Q in entry =           9
  In of MODEL   32
    1    H    CYS  32           H        CYS  32   0.194  -5.208  -0.341
    2    HA   CYS  32           HA       CYS  32  -0.229  -3.577   2.004
    3    HB2  CYS  32           HB2      CYS  32  -0.629  -2.845  -0.410
    4    HB3  CYS  32           HB3      CYS  32  -2.085  -3.831  -0.359

  No H/Q in entry =           4
  In of MODEL   32
    1    H    THR  33           H        THR  33  -1.691  -3.880   3.580
    2    HA   THR  33           HA       THR  33  -2.901  -6.445   3.874
    3    HB   THR  33           HB       THR  33  -2.155  -5.367   5.857
    4    HG1  THR  33           HG1      THR  33  -4.970  -5.059   5.863
    5   HG22  THR  33          HG21      THR  33  -3.802  -3.210   6.359
    6   HG21  THR  33          HG22      THR  33  -3.305  -2.993   4.680
    7   HG23  THR  33          HG23      THR  33  -2.088  -3.155   5.946

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY  34           H        GLY  34  -3.864  -3.697   2.191
    2    HA3  GLY  34           HA2      GLY  34  -5.817  -3.195   1.091
    3    HA2  GLY  34           HA3      GLY  34  -6.389  -4.799   1.526

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ARG  35           H        ARG  35  -5.396  -2.271   3.772
    2    HA   ARG  35           HA       ARG  35  -8.183  -2.125   4.717
    3    HB2  ARG  35           HB2      ARG  35  -5.606  -2.367   6.185
    4    HB3  ARG  35           HB3      ARG  35  -6.868  -1.383   6.913
    5    HG2  ARG  35           HG2      ARG  35  -8.305  -3.560   6.308
    6    HG3  ARG  35           HG3      ARG  35  -6.720  -4.303   6.533
    7    HD2  ARG  35           HD2      ARG  35  -6.689  -3.881   8.753
    8    HD3  ARG  35           HD3      ARG  35  -7.521  -2.337   8.578
    9    HE   ARG  35           HE       ARG  35  -8.707  -4.881   9.134
   10   HH11  ARG  35          HH11      ARG  35  -9.267  -1.758   7.680
   11   HH12  ARG  35          HH12      ARG  35 -10.984  -1.827   7.894
   12   HH21  ARG  35          HH21      ARG  35 -10.965  -4.973   9.416
   13   HH22  ARG  35          HH22      ARG  35 -11.948  -3.652   8.879

  No H/Q in entry =          13
  In of MODEL   32
    1    H    SER  36           H        SER  36  -5.190  -0.353   4.178
    2    HA   SER  36           HA       SER  36  -6.639   2.056   3.615
    3    HB2  SER  36           HB2      SER  36  -5.437   3.416   5.365
    4    HB3  SER  36           HB3      SER  36  -6.655   2.312   6.003
    5    HG   SER  36           HG       SER  36  -5.012   1.786   7.246

  No H/Q in entry =           5
  In of MODEL   32
    1    H    CYS  37           H        CYS  37  -5.012   3.923   3.245
    2    HA   CYS  37           HA       CYS  37  -3.069   2.973   1.385
    3    HB2  CYS  37           HB2      CYS  37  -4.395   5.121   1.180
    4    HB3  CYS  37           HB3      CYS  37  -3.341   5.797   2.415

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLU  38           H        GLU  38  -3.001   3.743   4.732
    2    HA   GLU  38           HA       GLU  38  -0.322   4.531   5.030
    3    HB2  GLU  38           HB2      GLU  38  -2.368   3.316   6.845
    4    HB3  GLU  38           HB3      GLU  38  -0.700   3.431   7.389
    5    HG2  GLU  38           HG2      GLU  38  -2.249   5.790   6.363
    6    HG3  GLU  38           HG3      GLU  38  -2.226   5.315   8.061

  No H/Q in entry =           6
  In of MODEL   32
    1    H    CYS  39           H        CYS  39   0.955   3.220   3.692
    2    HA   CYS  39           HA       CYS  39   1.000   0.430   3.682
    3    HB2  CYS  39           HB2      CYS  39   2.340   2.408   2.334
    4    HB3  CYS  39           HB3      CYS  39   3.623   1.699   3.308

  No H/Q in entry =           4
  In of MODEL   32
    1    HA   PRO  40           HA       PRO  40   2.686  -0.878   7.541
    2    HB2  PRO  40           HB2      PRO  40   4.431  -2.658   5.910
    3    HB3  PRO  40           HB3      PRO  40   3.356  -3.060   7.254
    4    HG2  PRO  40           HG2      PRO  40   2.664  -3.632   4.750
    5    HG3  PRO  40           HG3      PRO  40   1.461  -3.050   5.916
    6    HD2  PRO  40           HD2      PRO  40   2.789  -1.594   3.674
    7    HD3  PRO  40           HD3      PRO  40   1.128  -1.457   4.284

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  41           H        SER  41   4.709  -1.002   8.742
    2    HA   SER  41           HA       SER  41   6.771   0.746   7.577
    3    HB2  SER  41           HB2      SER  41   7.379   1.178  10.010
    4    HB3  SER  41           HB3      SER  41   5.823   1.818   9.482
    5    HG   SER  41           HG       SER  41   5.072   0.737  11.117

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  42           H        TYR  42   6.167  -2.285   9.199
    2    HA   TYR  42           HA       TYR  42   8.979  -2.890   9.513
    3    HB2  TYR  42           HB2      TYR  42   8.081  -5.138  10.267
    4    HB3  TYR  42           HB3      TYR  42   7.575  -3.753  11.228
    5    HD1  TYR  42           HD1      TYR  42   6.485  -6.251   8.755
    6    HD2  TYR  42           HD2      TYR  42   5.272  -3.084  11.323
    7    HE1  TYR  42           HE1      TYR  42   4.133  -6.890   8.422
    8    HE2  TYR  42           HE2      TYR  42   2.917  -3.714  10.998
    9    HH   TYR  42           HH       TYR  42   1.671  -5.911  10.354

  No H/Q in entry =           9
  In of MODEL   32
    1    HA   PRO  43           HA       PRO  43   9.951  -5.000   5.785
    2    HB2  PRO  43           HB2      PRO  43  10.416  -7.479   7.373
    3    HB3  PRO  43           HB3      PRO  43  11.482  -6.662   6.225
    4    HG2  PRO  43           HG2      PRO  43  11.911  -6.469   8.843
    5    HG3  PRO  43           HG3      PRO  43  12.154  -5.073   7.776
    6    HD2  PRO  43           HD2      PRO  43   9.916  -5.651   9.664
    7    HD3  PRO  43           HD3      PRO  43  10.669  -4.099   9.245

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY  44           H        GLY  44   9.577  -7.329   4.714
    2    HA3  GLY  44           HA2      GLY  44   7.019  -8.496   5.431
    3    HA2  GLY  44           HA3      GLY  44   7.025  -7.597   3.921

  No H/Q in entry =           3
  In of MODEL   33
    1    H1   ALA   1           H1       ALA   1 -14.782  16.414  -0.435
    2    H2   ALA   1           H3       ALA   1 -13.795  17.477  -1.348
    3    H3   ALA   1           H2       ALA   1 -14.610  16.183  -2.127
    4    HA   ALA   1           HA       ALA   1 -13.317  14.596  -1.008
    5    HB2  ALA   1           HB1      ALA   1 -11.933  16.804  -2.460
    6    HB3  ALA   1           HB2      ALA   1 -12.250  15.146  -2.970
    7    HB1  ALA   1           HB3      ALA   1 -10.985  15.478  -1.786

  No H/Q in entry =           7
  In of MODEL   33
    1    H    MET   2           H        MET   2 -12.366  13.993   0.829
    2    HA   MET   2           HA       MET   2 -11.514  16.098   2.693
    3    HB2  MET   2           HB2      MET   2 -12.667  13.369   3.037
    4    HB3  MET   2           HB3      MET   2 -11.595  13.981   4.289
    5    HG2  MET   2           HG2      MET   2 -13.798  15.737   3.365
    6    HG3  MET   2           HG3      MET   2 -14.206  14.348   4.371
    7    HE3  MET   2           HE1      MET   2 -13.835  18.158   5.331
    8    HE2  MET   2           HE2      MET   2 -14.611  17.276   6.646
    9    HE1  MET   2           HE3      MET   2 -15.036  16.918   4.972

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP   3           H        ASP   3 -10.473  13.177   1.067
    2    HA   ASP   3           HA       ASP   3  -7.746  13.848   1.217
    3    HB2  ASP   3           HB2      ASP   3  -8.511  12.917   3.625
    4    HB3  ASP   3           HB3      ASP   3  -8.133  11.390   2.833

  No H/Q in entry =           4
  In of MODEL   33
    1    H    CYS   4           H        CYS   4 -10.093  11.215   0.995
    2    HA   CYS   4           HA       CYS   4 -10.385   9.559  -0.537
    3    HB2  CYS   4           HB2      CYS   4  -8.775  11.552  -2.003
    4    HB3  CYS   4           HB3      CYS   4  -8.737   9.920  -2.659

  No H/Q in entry =           4
  In of MODEL   33
    1    H    THR   5           H        THR   5  -7.835   9.827   1.346
    2    HA   THR   5           HA       THR   5  -6.045   8.542   1.921
    3    HB   THR   5           HB       THR   5  -7.189   6.198   0.482
    4    HG1  THR   5           HG1      THR   5  -9.001   6.180   1.585
    5   HG23  THR   5          HG21      THR   5  -6.330   4.976   2.148
    6   HG22  THR   5          HG22      THR   5  -6.781   6.149   3.385
    7   HG21  THR   5          HG23      THR   5  -5.327   6.400   2.419

  No H/Q in entry =           7
  In of MODEL   33
    1    H    THR   6           H        THR   6  -4.848   9.865   0.286
    2    HA   THR   6           HA       THR   6  -4.163   8.503  -2.184
    3    HB   THR   6           HB       THR   6  -2.511  10.583  -2.228
    4    HG1  THR   6           HG1      THR   6  -2.814  11.533  -0.330
    5   HG23  THR   6          HG21      THR   6  -3.891  11.204  -3.832
    6   HG22  THR   6          HG22      THR   6  -5.026  11.809  -2.626
    7   HG21  THR   6          HG23      THR   6  -5.139  10.140  -3.184

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY   7           H        GLY   7  -2.054   7.833  -2.747
    2    HA3  GLY   7           HA2      GLY   7   0.322   7.934  -1.613
    3    HA2  GLY   7           HA3      GLY   7  -0.507   6.926  -0.436

  No H/Q in entry =           3
  In of MODEL   33
    1    HA   PRO   8           HA       PRO   8   1.443   4.186  -3.675
    2    HB2  PRO   8           HB2      PRO   8   2.129   2.577  -1.307
    3    HB3  PRO   8           HB3      PRO   8   3.168   3.152  -2.614
    4    HG2  PRO   8           HG2      PRO   8   3.310   4.188  -0.141
    5    HG3  PRO   8           HG3      PRO   8   3.561   5.182  -1.588
    6    HD2  PRO   8           HD2      PRO   8   1.136   4.950   0.157
    7    HD3  PRO   8           HD3      PRO   8   1.864   6.397  -0.574

  No H/Q in entry =           7
  In of MODEL   33
    1    H    CYS   9           H        CYS   9   0.113   2.802  -0.659
    2    HA   CYS   9           HA       CYS   9  -1.250   0.744  -2.156
    3    HB2  CYS   9           HB2      CYS   9  -1.160   1.363   0.801
    4    HB3  CYS   9           HB3      CYS   9  -2.013  -0.011   0.108

  No H/Q in entry =           4
  In of MODEL   33
    1    H    CYS  10           H        CYS  10  -2.347   2.862  -3.169
    2    HA   CYS  10           HA       CYS  10  -5.008   2.978  -1.933
    3    HB2  CYS  10           HB2      CYS  10  -3.817   5.398  -3.264
    4    HB3  CYS  10           HB3      CYS  10  -5.201   5.307  -2.181

  No H/Q in entry =           4
  In of MODEL   33
    1    H    ARG  11           H        ARG  11  -6.702   3.689  -3.470
    2    HA   ARG  11           HA       ARG  11  -6.021   3.093  -6.267
    3    HB2  ARG  11           HB2      ARG  11  -7.174   1.196  -4.851
    4    HB3  ARG  11           HB3      ARG  11  -8.626   2.144  -5.144
    5    HG2  ARG  11           HG2      ARG  11  -7.779   2.040  -7.637
    6    HG3  ARG  11           HG3      ARG  11  -6.949   0.599  -7.046
    7    HD2  ARG  11           HD2      ARG  11  -9.147  -0.195  -6.152
    8    HD3  ARG  11           HD3      ARG  11  -9.907   1.168  -6.972
    9    HE   ARG  11           HE       ARG  11  -9.017  -1.272  -8.158
   10   HH11  ARG  11          HH11      ARG  11  -9.492   2.133  -8.760
   11   HH12  ARG  11          HH12      ARG  11  -9.681   1.932 -10.470
   12   HH21  ARG  11          HH21      ARG  11  -9.266  -1.538 -10.406
   13   HH22  ARG  11          HH22      ARG  11  -9.554  -0.152 -11.404

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  12           H        GLN  12  -6.065   5.446  -6.408
    2    HA   GLN  12           HA       GLN  12  -7.055   7.342  -7.184
    3    HB2  GLN  12           HB2      GLN  12  -8.513   5.586  -8.396
    4    HB3  GLN  12           HB3      GLN  12  -9.724   5.967  -7.180
    5    HG2  GLN  12           HG2      GLN  12 -10.270   7.313  -9.000
    6    HG3  GLN  12           HG3      GLN  12  -9.435   8.394  -7.885
    7   HE21  GLN  12          HE21      GLN  12  -7.604   9.383  -8.520
    8   HE22  GLN  12          HE22      GLN  12  -6.871   9.182 -10.072

  No H/Q in entry =           8
  In of MODEL   33
    1    H    CYS  13           H        CYS  13  -9.571   5.833  -5.180
    2    HA   CYS  13           HA       CYS  13  -9.235   7.881  -3.153
    3    HB2  CYS  13           HB2      CYS  13 -10.822   8.827  -4.857
    4    HB3  CYS  13           HB3      CYS  13 -11.923   7.506  -4.481

  No H/Q in entry =           4
  In of MODEL   33
    1    H    LYS  14           H        LYS  14  -8.909   4.985  -3.301
    2    HA   LYS  14           HA       LYS  14 -10.413   4.312  -0.933
    3    HB2  LYS  14           HB2      LYS  14 -11.883   3.745  -2.953
    4    HB3  LYS  14           HB3      LYS  14 -10.712   2.481  -3.306
    5    HG2  LYS  14           HG2      LYS  14 -11.898   2.620  -0.580
    6    HG3  LYS  14           HG3      LYS  14 -12.864   1.974  -1.908
    7    HD2  LYS  14           HD2      LYS  14 -10.546   0.656  -2.315
    8    HD3  LYS  14           HD3      LYS  14 -10.491   0.851  -0.562
    9    HE2  LYS  14           HE2      LYS  14 -12.842  -0.284  -2.067
   10    HE3  LYS  14           HE3      LYS  14 -11.572  -1.263  -1.336
   11    HZ1  LYS  14           HZ1      LYS  14 -12.953   0.706   0.338
   12    HZ3  LYS  14           HZ2      LYS  14 -12.283  -0.788   0.763
   13    HZ2  LYS  14           HZ3      LYS  14 -13.766  -0.727  -0.049

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  15           H        LEU  15  -9.500   2.632   0.244
    2    HA   LEU  15           HA       LEU  15  -6.765   2.224   0.014
    3    HB2  LEU  15           HB2      LEU  15  -8.794   1.491   1.796
    4    HB3  LEU  15           HB3      LEU  15  -8.060  -0.023   1.302
    5    HG   LEU  15           HG       LEU  15  -6.241   2.178   2.134
    6   HD13  LEU  15          HD11      LEU  15  -6.601   1.968   4.403
    7   HD12  LEU  15          HD12      LEU  15  -7.458   0.437   4.233
    8   HD11  LEU  15          HD13      LEU  15  -8.246   1.945   3.768
    9   HD21  LEU  15          HD21      LEU  15  -5.843  -0.375   1.365
   10   HD23  LEU  15          HD22      LEU  15  -5.966  -0.585   3.112
   11   HD22  LEU  15          HD23      LEU  15  -4.758   0.509   2.438

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  16           H        LYS  16  -5.520   0.927  -1.179
    2    HA   LYS  16           HA       LYS  16  -6.500  -0.524  -3.346
    3    HB2  LYS  16           HB2      LYS  16  -3.925  -0.004  -2.135
    4    HB3  LYS  16           HB3      LYS  16  -4.014  -1.663  -2.712
    5    HG2  LYS  16           HG2      LYS  16  -4.459  -0.966  -4.928
    6    HG3  LYS  16           HG3      LYS  16  -4.745   0.699  -4.419
    7    HD2  LYS  16           HD2      LYS  16  -2.404   0.920  -3.779
    8    HD3  LYS  16           HD3      LYS  16  -2.109  -0.759  -4.234
    9    HE2  LYS  16           HE2      LYS  16  -2.283  -0.318  -6.491
   10    HE3  LYS  16           HE3      LYS  16  -3.268   1.123  -6.239
   11    HZ1  LYS  16           HZ1      LYS  16  -1.309   2.263  -5.391
   12    HZ3  LYS  16           HZ2      LYS  16  -1.042   1.699  -6.963
   13    HZ2  LYS  16           HZ3      LYS  16  -0.367   0.880  -5.646

  No H/Q in entry =          13
  In of MODEL   33
    1    HA   PRO  17           HA       PRO  17  -7.802  -4.509  -2.021
    2    HB2  PRO  17           HB2      PRO  17  -5.745  -5.720  -3.796
    3    HB3  PRO  17           HB3      PRO  17  -7.490  -5.989  -3.748
    4    HG2  PRO  17           HG2      PRO  17  -6.389  -4.538  -5.692
    5    HG3  PRO  17           HG3      PRO  17  -7.952  -4.085  -4.987
    6    HD2  PRO  17           HD2      PRO  17  -5.251  -2.889  -4.543
    7    HD3  PRO  17           HD3      PRO  17  -6.837  -2.096  -4.632

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ALA  18           H        ALA  18  -7.306  -6.069  -0.533
    2    HA   ALA  18           HA       ALA  18  -4.947  -5.711   1.017
    3    HB3  ALA  18           HB1      ALA  18  -7.363  -7.400   1.157
    4    HB1  ALA  18           HB2      ALA  18  -6.580  -6.431   2.404
    5    HB2  ALA  18           HB3      ALA  18  -5.931  -8.016   1.983

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  19           H        GLY  19  -3.042  -6.254   0.112
    2    HA3  GLY  19           HA2      GLY  19  -1.561  -8.239   0.003
    3    HA2  GLY  19           HA3      GLY  19  -2.807  -8.992  -0.980

  No H/Q in entry =           3
  In of MODEL   33
    1    H    THR  20           H        THR  20  -1.859  -5.634  -1.315
    2    HA   THR  20           HA       THR  20  -0.970  -6.222  -4.042
    3    HB   THR  20           HB       THR  20  -1.313  -3.446  -2.969
    4    HG1  THR  20           HG1      THR  20  -3.399  -5.198  -3.748
    5   HG22  THR  20          HG21      THR  20  -2.383  -3.254  -5.317
    6   HG21  THR  20          HG22      THR  20  -1.517  -4.757  -5.638
    7   HG23  THR  20          HG23      THR  20  -0.628  -3.311  -5.159

  No H/Q in entry =           7
  In of MODEL   33
    1    H    THR  21           H        THR  21   0.815  -4.656  -4.831
    2    HA   THR  21           HA       THR  21   2.928  -4.526  -2.780
    3    HB   THR  21           HB       THR  21   3.855  -4.786  -5.550
    4    HG1  THR  21           HG1      THR  21   2.302  -6.822  -4.357
    5   HG21  THR  21          HG21      THR  21   4.482  -6.147  -2.954
    6   HG23  THR  21          HG22      THR  21   5.485  -5.035  -3.886
    7   HG22  THR  21          HG23      THR  21   5.176  -6.663  -4.491

  No H/Q in entry =           7
  In of MODEL   33
    1    H    CYS  22           H        CYS  22   3.380  -2.481  -2.330
    2    HA   CYS  22           HA       CYS  22   2.913  -0.404  -4.313
    3    HB2  CYS  22           HB2      CYS  22   3.261   1.166  -2.496
    4    HB3  CYS  22           HB3      CYS  22   2.139  -0.090  -1.983

  No H/Q in entry =           4
  In of MODEL   33
    1    H    TRP  23           H        TRP  23   5.567  -1.941  -2.609
    2    HA   TRP  23           HA       TRP  23   7.450  -1.130  -4.581
    3    HB2  TRP  23           HB2      TRP  23   7.294   0.985  -3.318
    4    HB3  TRP  23           HB3      TRP  23   7.732   0.129  -1.843
    5    HD1  TRP  23           HD1      TRP  23   9.274   0.910  -5.316
    6    HE1  TRP  23           HE1      TRP  23  11.823   1.108  -5.023
    7    HE3  TRP  23           HE3      TRP  23   9.619  -0.305  -0.361
    8    HZ2  TRP  23           HZ2      TRP  23  13.729   0.790  -2.964
    9    HZ3  TRP  23           HZ3      TRP  23  11.842  -0.335   0.693
   10    HH2  TRP  23           HH2      TRP  23  13.853   0.201  -0.583

  No H/Q in entry =          10
  In of MODEL   33
    1    H    ARG  24           H        ARG  24   8.027  -3.261  -4.709
    2    HA   ARG  24           HA       ARG  24   8.999  -4.579  -2.277
    3    HB2  ARG  24           HB2      ARG  24   8.938  -6.649  -3.607
    4    HB3  ARG  24           HB3      ARG  24   7.376  -5.843  -3.579
    5    HG2  ARG  24           HG2      ARG  24   7.753  -4.966  -5.805
    6    HG3  ARG  24           HG3      ARG  24   9.365  -5.685  -5.835
    7    HD2  ARG  24           HD2      ARG  24   7.963  -7.877  -5.282
    8    HD3  ARG  24           HD3      ARG  24   6.700  -6.963  -6.107
    9    HE   ARG  24           HE       ARG  24   7.794  -7.312  -8.083
   10   HH11  ARG  24          HH11      ARG  24   9.995  -7.973  -5.456
   11   HH12  ARG  24          HH12      ARG  24  11.236  -8.601  -6.488
   12   HH21  ARG  24          HH21      ARG  24   9.425  -8.138  -9.442
   13   HH22  ARG  24          HH22      ARG  24  10.912  -8.695  -8.751

  No H/Q in entry =          13
  In of MODEL   33
    1    H    THR  25           H        THR  25  11.030  -5.690  -2.289
    2    HA   THR  25           HA       THR  25  12.924  -4.835  -4.360
    3    HB   THR  25           HB       THR  25  14.551  -4.646  -2.257
    4    HG1  THR  25           HG1      THR  25  12.692  -5.109  -0.850
    5   HG23  THR  25          HG21      THR  25  14.693  -2.523  -2.854
    6   HG22  THR  25          HG22      THR  25  13.054  -2.193  -2.294
    7   HG21  THR  25          HG23      THR  25  13.322  -2.800  -3.928

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  26           H        SER  26  15.195  -5.941  -3.639
    2    HA   SER  26           HA       SER  26  14.651  -8.767  -3.816
    3    HB2  SER  26           HB2      SER  26  17.443  -7.807  -3.498
    4    HB3  SER  26           HB3      SER  26  16.775  -8.976  -4.637
    5    HG   SER  26           HG       SER  26  17.355  -7.118  -5.748

  No H/Q in entry =           5
  In of MODEL   33
    1    H    VAL  27           H        VAL  27  15.874  -6.519  -1.428
    2    HA   VAL  27           HA       VAL  27  16.680  -8.617   0.395
    3    HB   VAL  27           HB       VAL  27  17.059  -6.704   1.989
    4   HG12  VAL  27          HG11      VAL  27  18.949  -5.720   0.544
    5   HG11  VAL  27          HG12      VAL  27  18.410  -6.868  -0.682
    6   HG13  VAL  27          HG13      VAL  27  18.970  -7.450   0.886
    7   HG22  VAL  27          HG21      VAL  27  16.869  -4.466   1.282
    8   HG21  VAL  27          HG22      VAL  27  15.354  -5.233   0.806
    9   HG23  VAL  27          HG23      VAL  27  16.608  -4.934  -0.398

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  28           H        SER  28  13.954  -6.475  -0.087
    2    HA   SER  28           HA       SER  28  12.434  -8.009   1.869
    3    HB2  SER  28           HB2      SER  28  13.423  -5.969   3.021
    4    HB3  SER  28           HB3      SER  28  12.400  -4.990   1.971
    5    HG   SER  28           HG       SER  28  10.989  -5.298   3.506

  No H/Q in entry =           5
  In of MODEL   33
    1    H    SER  29           H        SER  29  10.101  -6.636   1.897
    2    HA   SER  29           HA       SER  29   9.315  -5.837  -0.753
    3    HB2  SER  29           HB2      SER  29   9.345  -8.486  -0.531
    4    HB3  SER  29           HB3      SER  29   7.786  -8.199   0.243
    5    HG   SER  29           HG       SER  29   7.195  -7.016  -1.661

  No H/Q in entry =           5
  In of MODEL   33
    1    H    HIS  30           H        HIS  30   7.767  -4.356  -0.571
    2    HA   HIS  30           HA       HIS  30   6.334  -4.149   1.978
    3    HB2  HIS  30           HB2      HIS  30   6.769  -2.145  -0.243
    4    HB3  HIS  30           HB3      HIS  30   5.778  -1.838   1.180
    5    HD1  HIS  30           HD1      HIS  30   7.631   0.158   1.424
    6    HD2  HIS  30           HD2      HIS  30   8.907  -3.720   2.194
    7    HE1  HIS  30           HE1      HIS  30   9.764   0.400   2.733
    8    HE2  HIS  30           HE2      HIS  30  10.563  -1.959   3.113

  No H/Q in entry =           8
  In of MODEL   33
    1    H    TYR  31           H        TYR  31   4.548  -5.395   1.874
    2    HA   TYR  31           HA       TYR  31   2.831  -5.173  -0.500
    3    HB2  TYR  31           HB2      TYR  31   3.255  -7.301   1.552
    4    HB3  TYR  31           HB3      TYR  31   1.677  -7.185   0.781
    5    HD1  TYR  31           HD1      TYR  31   5.171  -8.095   0.348
    6    HD2  TYR  31           HD2      TYR  31   1.453  -7.555  -1.647
    7    HE1  TYR  31           HE1      TYR  31   6.029  -9.359  -1.579
    8    HE2  TYR  31           HE2      TYR  31   2.299  -8.818  -3.579
    9    HH   TYR  31           HH       TYR  31   5.456  -9.420  -4.142

  No H/Q in entry =           9
  In of MODEL   33
    1    H    CYS  32           H        CYS  32   0.629  -4.717  -0.300
    2    HA   CYS  32           HA       CYS  32  -0.039  -3.107   2.024
    3    HB2  CYS  32           HB2      CYS  32  -1.825  -3.591  -0.352
    4    HB3  CYS  32           HB3      CYS  32  -1.808  -2.212   0.741

  No H/Q in entry =           4
  In of MODEL   33
    1    H    THR  33           H        THR  33  -1.499  -3.626   3.559
    2    HA   THR  33           HA       THR  33  -2.595  -6.334   3.485
    3    HB   THR  33           HB       THR  33  -1.381  -5.817   5.486
    4    HG1  THR  33           HG1      THR  33  -4.140  -5.611   6.100
    5   HG23  THR  33          HG21      THR  33  -1.277  -3.545   5.779
    6   HG22  THR  33          HG22      THR  33  -2.430  -4.014   7.029
    7   HG21  THR  33          HG23      THR  33  -3.006  -3.321   5.513

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY  34           H        GLY  34  -3.689  -3.834   2.070
    2    HA3  GLY  34           HA2      GLY  34  -5.739  -2.907   1.610
    3    HA2  GLY  34           HA3      GLY  34  -6.377  -4.469   2.097

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ARG  35           H        ARG  35  -4.612  -2.543   4.383
    2    HA   ARG  35           HA       ARG  35  -7.148  -1.911   5.744
    3    HB2  ARG  35           HB2      ARG  35  -5.766  -3.612   6.907
    4    HB3  ARG  35           HB3      ARG  35  -4.458  -2.442   7.016
    5    HG2  ARG  35           HG2      ARG  35  -5.369  -2.155   9.071
    6    HG3  ARG  35           HG3      ARG  35  -6.350  -0.994   8.175
    7    HD2  ARG  35           HD2      ARG  35  -7.845  -3.165   7.793
    8    HD3  ARG  35           HD3      ARG  35  -7.083  -3.632   9.313
    9    HE   ARG  35           HE       ARG  35  -9.142  -1.712   8.967
   10   HH11  ARG  35          HH11      ARG  35  -6.281  -2.377  10.852
   11   HH12  ARG  35          HH12      ARG  35  -6.815  -1.457  12.218
   12   HH21  ARG  35          HH21      ARG  35  -9.846  -0.501  10.763
   13   HH22  ARG  35          HH22      ARG  35  -8.839  -0.392  12.168

  No H/Q in entry =          13
  In of MODEL   33
    1    H    SER  36           H        SER  36  -3.902  -0.798   4.973
    2    HA   SER  36           HA       SER  36  -4.819   1.957   5.300
    3    HB2  SER  36           HB2      SER  36  -2.416   0.757   6.676
    4    HB3  SER  36           HB3      SER  36  -2.580   2.492   6.408
    5    HG   SER  36           HG       SER  36  -3.477   2.198   8.358

  No H/Q in entry =           5
  In of MODEL   33
    1    H    CYS  37           H        CYS  37  -3.624   3.494   4.090
    2    HA   CYS  37           HA       CYS  37  -2.599   2.466   1.635
    3    HB2  CYS  37           HB2      CYS  37  -3.208   5.128   2.767
    4    HB3  CYS  37           HB3      CYS  37  -1.949   5.097   1.537

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLU  38           H        GLU  38  -1.184   3.387   4.641
    2    HA   GLU  38           HA       GLU  38   1.451   3.874   3.601
    3    HB2  GLU  38           HB2      GLU  38   0.361   4.726   5.818
    4    HB3  GLU  38           HB3      GLU  38   0.899   3.183   6.466
    5    HG2  GLU  38           HG2      GLU  38   3.188   3.922   5.388
    6    HG3  GLU  38           HG3      GLU  38   2.484   5.528   5.575

  No H/Q in entry =           6
  In of MODEL   33
    1    H    CYS  39           H        CYS  39   2.715   2.318   2.844
    2    HA   CYS  39           HA       CYS  39   2.247  -0.430   3.179
    3    HB2  CYS  39           HB2      CYS  39   4.917   0.787   2.470
    4    HB3  CYS  39           HB3      CYS  39   4.285  -0.786   1.994

  No H/Q in entry =           4
  In of MODEL   33
    1    HA   PRO  40           HA       PRO  40   4.115  -1.399   7.052
    2    HB2  PRO  40           HB2      PRO  40   5.082  -3.891   6.589
    3    HB3  PRO  40           HB3      PRO  40   3.356  -3.549   6.761
    4    HG2  PRO  40           HG2      PRO  40   4.975  -3.919   4.270
    5    HG3  PRO  40           HG3      PRO  40   3.367  -4.554   4.663
    6    HD2  PRO  40           HD2      PRO  40   3.730  -2.380   3.090
    7    HD3  PRO  40           HD3      PRO  40   2.318  -2.567   4.150

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  41           H        SER  41   6.083  -1.464   8.137
    2    HA   SER  41           HA       SER  41   8.413  -0.831   6.480
    3    HB2  SER  41           HB2      SER  41   9.395   0.093   8.524
    4    HB3  SER  41           HB3      SER  41   7.793   0.778   8.250
    5    HG   SER  41           HG       SER  41   6.978  -0.689   9.790

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  42           H        TYR  42   7.540  -3.545   6.669
    2    HA   TYR  42           HA       TYR  42  10.018  -4.746   7.512
    3    HB2  TYR  42           HB2      TYR  42   8.829  -6.454   8.959
    4    HB3  TYR  42           HB3      TYR  42   8.967  -4.838   9.645
    5    HD1  TYR  42           HD1      TYR  42   6.908  -3.266   9.240
    6    HD2  TYR  42           HD2      TYR  42   6.767  -7.509   8.961
    7    HE1  TYR  42           HE1      TYR  42   4.474  -3.202   9.583
    8    HE2  TYR  42           HE2      TYR  42   4.333  -7.457   9.302
    9    HH   TYR  42           HH       TYR  42   2.681  -5.678  10.509

  No H/Q in entry =           9
  In of MODEL   33
    1    HA   PRO  43           HA       PRO  43   9.344  -7.527   4.175
    2    HB2  PRO  43           HB2      PRO  43   9.909  -9.742   6.089
    3    HB3  PRO  43           HB3      PRO  43  10.648  -9.392   4.523
    4    HG2  PRO  43           HG2      PRO  43  11.948  -8.857   6.782
    5    HG3  PRO  43           HG3      PRO  43  12.041  -7.755   5.396
    6    HD2  PRO  43           HD2      PRO  43  10.498  -7.484   7.936
    7    HD3  PRO  43           HD3      PRO  43  11.301  -6.235   6.963

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY  44           H        GLY  44   7.981  -9.298   3.431
    2    HA3  GLY  44           HA2      GLY  44   5.404  -9.242   4.743
    3    HA2  GLY  44           HA3      GLY  44   5.778 -10.007   3.206

  No H/Q in entry =           3
  In of MODEL   34
    1    H1   ALA   1           H1       ALA   1 -12.974  12.392   4.084
    2    H2   ALA   1           H3       ALA   1 -11.674  11.486   4.737
    3    H3   ALA   1           H2       ALA   1 -12.963  11.989   5.752
    4    HA   ALA   1           HA       ALA   1 -12.382  14.248   5.459
    5    HB3  ALA   1           HB1      ALA   1 -11.347  12.955   7.272
    6    HB1  ALA   1           HB2      ALA   1 -10.290  14.239   6.686
    7    HB2  ALA   1           HB3      ALA   1  -9.993  12.568   6.209

  No H/Q in entry =           7
  In of MODEL   34
    1    H    MET   2           H        MET   2  -9.573  12.410   4.261
    2    HA   MET   2           HA       MET   2  -8.788  14.603   2.570
    3    HB2  MET   2           HB2      MET   2  -7.669  11.897   3.200
    4    HB3  MET   2           HB3      MET   2  -7.069  12.778   1.802
    5    HG2  MET   2           HG2      MET   2  -7.192  14.290   4.326
    6    HG3  MET   2           HG3      MET   2  -6.020  12.976   4.261
    7    HE2  MET   2           HE1      MET   2  -4.857  16.295   4.420
    8    HE1  MET   2           HE2      MET   2  -6.592  16.317   4.108
    9    HE3  MET   2           HE3      MET   2  -5.483  17.092   2.977

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP   3           H        ASP   3  -9.304  14.910   0.505
    2    HA   ASP   3           HA       ASP   3 -11.210  13.343  -0.824
    3    HB2  ASP   3           HB2      ASP   3 -10.673  14.713  -2.808
    4    HB3  ASP   3           HB3      ASP   3 -10.875  15.697  -1.362

  No H/Q in entry =           4
  In of MODEL   34
    1    H    CYS   4           H        CYS   4 -10.905  11.314  -1.463
    2    HA   CYS   4           HA       CYS   4 -10.023   9.470  -2.459
    3    HB2  CYS   4           HB2      CYS   4  -8.625  11.660  -3.976
    4    HB3  CYS   4           HB3      CYS   4  -8.282   9.965  -4.305

  No H/Q in entry =           4
  In of MODEL   34
    1    H    THR   5           H        THR   5  -8.858   8.160  -1.227
    2    HA   THR   5           HA       THR   5  -6.696   8.921   0.374
    3    HB   THR   5           HB       THR   5  -6.425   6.616   0.884
    4    HG1  THR   5           HG1      THR   5  -6.818   5.034  -0.491
    5   HG23  THR   5          HG21      THR   5  -8.392   6.550   1.879
    6   HG22  THR   5          HG22      THR   5  -9.101   5.949   0.380
    7   HG21  THR   5          HG23      THR   5  -9.064   7.682   0.706

  No H/Q in entry =           7
  In of MODEL   34
    1    H    THR   6           H        THR   6  -4.786   9.630  -0.302
    2    HA   THR   6           HA       THR   6  -3.596   8.395  -2.699
    3    HB   THR   6           HB       THR   6  -2.157  10.650  -2.442
    4    HG1  THR   6           HG1      THR   6  -4.736  11.370  -1.515
    5   HG21  THR   6          HG21      THR   6  -4.121   9.777  -4.183
    6   HG23  THR   6          HG22      THR   6  -3.065  11.174  -4.390
    7   HG22  THR   6          HG23      THR   6  -4.663  11.376  -3.672

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY   7           H        GLY   7  -1.472   7.713  -2.652
    2    HA3  GLY   7           HA2      GLY   7   0.606   8.149  -1.065
    3    HA2  GLY   7           HA3      GLY   7  -0.414   7.219   0.022

  No H/Q in entry =           3
  In of MODEL   34
    1    HA   PRO   8           HA       PRO   8   2.145   4.166  -2.297
    2    HB2  PRO   8           HB2      PRO   8   2.817   2.639  -0.184
    3    HB3  PRO   8           HB3      PRO   8   3.679   4.133  -0.574
    4    HG2  PRO   8           HG2      PRO   8   1.553   3.651   1.477
    5    HG3  PRO   8           HG3      PRO   8   3.049   4.593   1.615
    6    HD2  PRO   8           HD2      PRO   8   0.596   5.711   1.164
    7    HD3  PRO   8           HD3      PRO   8   2.121   6.442   0.626

  No H/Q in entry =           7
  In of MODEL   34
    1    H    CYS   9           H        CYS   9  -0.094   3.433   0.382
    2    HA   CYS   9           HA       CYS   9  -0.929   0.994  -0.996
    3    HB2  CYS   9           HB2      CYS   9  -1.098   2.000   1.796
    4    HB3  CYS   9           HB3      CYS   9  -2.381   0.925   1.252

  No H/Q in entry =           4
  In of MODEL   34
    1    H    CYS  10           H        CYS  10  -1.770   2.871  -2.555
    2    HA   CYS  10           HA       CYS  10  -4.577   2.666  -2.546
    3    HB2  CYS  10           HB2      CYS  10  -4.712   5.369  -2.476
    4    HB3  CYS  10           HB3      CYS  10  -5.040   4.340  -1.090

  No H/Q in entry =           4
  In of MODEL   34
    1    H    ARG  11           H        ARG  11  -5.346   2.975  -4.551
    2    HA   ARG  11           HA       ARG  11  -3.716   4.507  -6.455
    3    HB2  ARG  11           HB2      ARG  11  -4.351   1.643  -6.516
    4    HB3  ARG  11           HB3      ARG  11  -4.743   2.483  -8.010
    5    HG2  ARG  11           HG2      ARG  11  -2.425   3.359  -8.067
    6    HG3  ARG  11           HG3      ARG  11  -2.061   2.375  -6.649
    7    HD2  ARG  11           HD2      ARG  11  -1.952   0.476  -7.845
    8    HD3  ARG  11           HD3      ARG  11  -3.336   0.912  -8.845
    9    HE   ARG  11           HE       ARG  11  -1.858   1.556 -10.444
   10   HH11  ARG  11          HH11      ARG  11  -0.267   1.814  -7.349
   11   HH12  ARG  11          HH12      ARG  11   1.248   2.306  -8.029
   12   HH21  ARG  11          HH21      ARG  11   0.134   2.202 -11.340
   13   HH22  ARG  11          HH22      ARG  11   1.476   2.527 -10.294

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  12           H        GLN  12  -4.862   5.403  -8.215
    2    HA   GLN  12           HA       GLN  12  -6.625   6.377  -9.268
    3    HB2  GLN  12           HB2      GLN  12  -7.693   3.817  -8.347
    4    HB3  GLN  12           HB3      GLN  12  -8.929   5.056  -8.517
    5    HG2  GLN  12           HG2      GLN  12  -6.987   4.696 -10.733
    6    HG3  GLN  12           HG3      GLN  12  -8.250   3.485 -10.516
    7   HE21  GLN  12          HE21      GLN  12  -8.593   4.499 -12.770
    8   HE22  GLN  12          HE22      GLN  12  -9.749   5.782 -12.833

  No H/Q in entry =           8
  In of MODEL   34
    1    H    CYS  13           H        CYS  13  -8.293   5.243  -6.353
    2    HA   CYS  13           HA       CYS  13  -8.211   7.776  -5.052
    3    HB2  CYS  13           HB2      CYS  13 -10.496   7.138  -6.821
    4    HB3  CYS  13           HB3      CYS  13 -10.911   7.770  -5.232

  No H/Q in entry =           4
  In of MODEL   34
    1    H    LYS  14           H        LYS  14  -7.782   4.925  -4.486
    2    HA   LYS  14           HA       LYS  14  -9.093   4.839  -1.948
    3    HB2  LYS  14           HB2      LYS  14 -10.225   3.347  -4.203
    4    HB3  LYS  14           HB3      LYS  14  -9.887   2.345  -2.799
    5    HG2  LYS  14           HG2      LYS  14 -11.525   3.277  -1.569
    6    HG3  LYS  14           HG3      LYS  14 -11.268   4.885  -2.248
    7    HD2  LYS  14           HD2      LYS  14 -12.425   4.233  -4.285
    8    HD3  LYS  14           HD3      LYS  14 -12.630   2.593  -3.664
    9    HE2  LYS  14           HE2      LYS  14 -14.252   3.214  -2.170
   10    HE3  LYS  14           HE3      LYS  14 -13.642   4.862  -2.028
   11    HZ2  LYS  14           HZ1      LYS  14 -15.823   4.495  -3.271
   12    HZ1  LYS  14           HZ2      LYS  14 -14.871   3.900  -4.536
   13    HZ3  LYS  14           HZ3      LYS  14 -14.667   5.492  -4.001

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  15           H        LEU  15  -8.373   3.024  -0.631
    2    HA   LEU  15           HA       LEU  15  -5.636   2.535  -0.858
    3    HB2  LEU  15           HB2      LEU  15  -5.905   0.966   0.962
    4    HB3  LEU  15           HB3      LEU  15  -6.876   2.397   1.253
    5    HG   LEU  15           HG       LEU  15  -8.746   0.866   0.101
    6   HD11  LEU  15          HD11      LEU  15  -6.643  -0.989   1.103
    7   HD13  LEU  15          HD12      LEU  15  -7.690  -1.126  -0.309
    8   HD12  LEU  15          HD13      LEU  15  -8.340  -1.427   1.302
    9   HD23  LEU  15          HD21      LEU  15  -9.001   0.000   2.643
   10   HD22  LEU  15          HD22      LEU  15  -9.439   1.623   2.107
   11   HD21  LEU  15          HD23      LEU  15  -7.876   1.339   2.874

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  16           H        LYS  16  -4.424   0.902  -1.684
    2    HA   LYS  16           HA       LYS  16  -5.417  -0.577  -3.844
    3    HB2  LYS  16           HB2      LYS  16  -2.883  -0.415  -2.348
    4    HB3  LYS  16           HB3      LYS  16  -3.164  -1.955  -3.150
    5    HG2  LYS  16           HG2      LYS  16  -3.797  -0.252  -5.142
    6    HG3  LYS  16           HG3      LYS  16  -2.579   0.693  -4.284
    7    HD2  LYS  16           HD2      LYS  16  -1.412  -1.768  -4.353
    8    HD3  LYS  16           HD3      LYS  16  -2.293  -1.752  -5.882
    9    HE2  LYS  16           HE2      LYS  16  -1.215   0.686  -5.999
   10    HE3  LYS  16           HE3      LYS  16  -0.004  -0.098  -4.984
   11    HZ1  LYS  16           HZ1      LYS  16  -0.920  -1.215  -7.573
   12    HZ3  LYS  16           HZ2      LYS  16   0.413  -1.703  -6.653
   13    HZ2  LYS  16           HZ3      LYS  16   0.425  -0.199  -7.427

  No H/Q in entry =          13
  In of MODEL   34
    1    HA   PRO  17           HA       PRO  17  -7.095  -4.304  -2.210
    2    HB2  PRO  17           HB2      PRO  17  -5.844  -6.282  -3.623
    3    HB3  PRO  17           HB3      PRO  17  -7.125  -5.263  -4.289
    4    HG2  PRO  17           HG2      PRO  17  -4.159  -5.028  -4.605
    5    HG3  PRO  17           HG3      PRO  17  -5.434  -4.827  -5.821
    6    HD2  PRO  17           HD2      PRO  17  -4.223  -2.719  -4.660
    7    HD3  PRO  17           HD3      PRO  17  -5.938  -2.682  -5.122

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ALA  18           H        ALA  18  -6.786  -5.729  -0.563
    2    HA   ALA  18           HA       ALA  18  -4.518  -5.569   1.041
    3    HB3  ALA  18           HB1      ALA  18  -6.896  -7.337   0.945
    4    HB1  ALA  18           HB2      ALA  18  -6.295  -6.312   2.249
    5    HB2  ALA  18           HB3      ALA  18  -5.525  -7.865   1.921

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  19           H        GLY  19  -2.966  -7.236   1.614
    2    HA3  GLY  19           HA2      GLY  19  -1.323  -8.753   1.099
    3    HA2  GLY  19           HA3      GLY  19  -2.514  -9.549   0.080

  No H/Q in entry =           3
  In of MODEL   34
    1    H    THR  20           H        THR  20  -1.711  -6.231  -0.520
    2    HA   THR  20           HA       THR  20  -0.158  -7.068  -2.882
    3    HB   THR  20           HB       THR  20  -1.972  -4.664  -2.607
    4    HG1  THR  20           HG1      THR  20  -2.286  -7.158  -3.896
    5   HG21  THR  20          HG21      THR  20   0.096  -4.655  -4.231
    6   HG23  THR  20          HG22      THR  20  -1.472  -4.016  -4.725
    7   HG22  THR  20          HG23      THR  20  -0.982  -5.634  -5.226

  No H/Q in entry =           7
  In of MODEL   34
    1    H    THR  21           H        THR  21   1.870  -6.372  -2.955
    2    HA   THR  21           HA       THR  21   3.077  -4.879  -0.936
    3    HB   THR  21           HB       THR  21   4.484  -6.257  -2.231
    4    HG1  THR  21           HG1      THR  21   5.333  -4.112  -1.726
    5   HG21  THR  21          HG21      THR  21   2.900  -5.482  -4.418
    6   HG23  THR  21          HG22      THR  21   4.196  -6.677  -4.376
    7   HG22  THR  21          HG23      THR  21   4.556  -4.999  -4.783

  No H/Q in entry =           7
  In of MODEL   34
    1    H    CYS  22           H        CYS  22   3.797  -2.754  -0.796
    2    HA   CYS  22           HA       CYS  22   2.382  -0.872  -2.557
    3    HB2  CYS  22           HB2      CYS  22   2.538   0.744  -0.746
    4    HB3  CYS  22           HB3      CYS  22   1.812  -0.746  -0.154

  No H/Q in entry =           4
  In of MODEL   34
    1    H    TRP  23           H        TRP  23   5.501  -1.544  -1.040
    2    HA   TRP  23           HA       TRP  23   6.754   0.574  -2.615
    3    HB2  TRP  23           HB2      TRP  23   7.323   0.435  -0.226
    4    HB3  TRP  23           HB3      TRP  23   7.922  -1.203  -0.465
    5    HD1  TRP  23           HD1      TRP  23   8.751   1.532  -3.002
    6    HE1  TRP  23           HE1      TRP  23  11.278   2.011  -2.903
    7    HE3  TRP  23           HE3      TRP  23   9.951  -1.286   1.091
    8    HZ2  TRP  23           HZ2      TRP  23  13.488   1.289  -1.301
    9    HZ3  TRP  23           HZ3      TRP  23  12.294  -1.338   1.841
   10    HH2  TRP  23           HH2      TRP  23  14.024  -0.077   0.669

  No H/Q in entry =          10
  In of MODEL   34
    1    H    ARG  24           H        ARG  24   7.790  -2.704  -1.742
    2    HA   ARG  24           HA       ARG  24   8.781  -4.366  -2.939
    3    HB2  ARG  24           HB2      ARG  24   6.579  -3.790  -4.323
    4    HB3  ARG  24           HB3      ARG  24   7.762  -3.292  -5.524
    5    HG2  ARG  24           HG2      ARG  24   8.748  -5.497  -5.525
    6    HG3  ARG  24           HG3      ARG  24   7.660  -6.011  -4.234
    7    HD2  ARG  24           HD2      ARG  24   5.914  -6.280  -5.635
    8    HD3  ARG  24           HD3      ARG  24   6.346  -4.874  -6.607
    9    HE   ARG  24           HE       ARG  24   8.180  -7.007  -7.008
   10   HH11  ARG  24          HH11      ARG  24   4.974  -5.916  -7.851
   11   HH12  ARG  24          HH12      ARG  24   4.938  -6.782  -9.350
   12   HH21  ARG  24          HH21      ARG  24   8.134  -8.147  -8.979
   13   HH22  ARG  24          HH22      ARG  24   6.731  -8.050  -9.990

  No H/Q in entry =          13
  In of MODEL   34
    1    H    THR  25           H        THR  25  10.550  -4.827  -4.369
    2    HA   THR  25           HA       THR  25  11.857  -2.655  -5.741
    3    HB   THR  25           HB       THR  25  14.009  -3.054  -4.407
    4    HG1  THR  25           HG1      THR  25  12.109  -4.068  -2.564
    5   HG21  THR  25          HG21      THR  25  12.433  -1.037  -4.208
    6   HG23  THR  25          HG22      THR  25  13.599  -1.332  -2.919
    7   HG22  THR  25          HG23      THR  25  11.910  -1.788  -2.700

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  26           H        SER  26  13.226  -5.551  -4.243
    2    HA   SER  26           HA       SER  26  13.031  -7.255  -6.453
    3    HB2  SER  26           HB2      SER  26  14.758  -5.283  -7.100
    4    HB3  SER  26           HB3      SER  26  15.869  -6.413  -6.327
    5    HG   SER  26           HG       SER  26  14.489  -6.630  -8.711

  No H/Q in entry =           5
  In of MODEL   34
    1    H    VAL  27           H        VAL  27  15.010  -6.244  -3.721
    2    HA   VAL  27           HA       VAL  27  15.601  -9.059  -3.122
    3    HB   VAL  27           HB       VAL  27  17.551  -7.571  -3.243
    4   HG12  VAL  27          HG11      VAL  27  17.867  -5.873  -1.443
    5   HG11  VAL  27          HG12      VAL  27  16.171  -6.091  -1.011
    6   HG13  VAL  27          HG13      VAL  27  16.602  -5.471  -2.605
    7   HG22  VAL  27          HG21      VAL  27  18.622  -8.604  -1.538
    8   HG21  VAL  27          HG22      VAL  27  17.099  -9.486  -1.419
    9   HG23  VAL  27          HG23      VAL  27  17.415  -8.124  -0.345

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  28           H        SER  28  14.057  -6.176  -1.876
    2    HA   SER  28           HA       SER  28  13.020  -7.772   0.373
    3    HB2  SER  28           HB2      SER  28  13.957  -4.906   0.341
    4    HB3  SER  28           HB3      SER  28  12.864  -5.513   1.586
    5    HG   SER  28           HG       SER  28  15.323  -6.774   0.980

  No H/Q in entry =           5
  In of MODEL   34
    1    H    SER  29           H        SER  29  10.980  -8.233  -0.153
    2    HA   SER  29           HA       SER  29   9.346  -6.191  -1.478
    3    HB2  SER  29           HB2      SER  29   8.641  -9.093  -1.004
    4    HB3  SER  29           HB3      SER  29   7.849  -7.963  -2.102
    5    HG   SER  29           HG       SER  29   9.402  -8.235  -3.523

  No H/Q in entry =           5
  In of MODEL   34
    1    H    HIS  30           H        HIS  30   7.038  -6.054  -0.776
    2    HA   HIS  30           HA       HIS  30   6.715  -6.504   2.110
    3    HB2  HIS  30           HB2      HIS  30   6.588  -3.935   0.621
    4    HB3  HIS  30           HB3      HIS  30   5.374  -4.192   1.870
    5    HD1  HIS  30           HD1      HIS  30   6.063  -3.583   4.172
    6    HD2  HIS  30           HD2      HIS  30   9.332  -4.254   1.696
    7    HE1  HIS  30           HE1      HIS  30   8.083  -2.998   5.552
    8    HE2  HIS  30           HE2      HIS  30  10.043  -3.329   4.004

  No H/Q in entry =           8
  In of MODEL   34
    1    H    TYR  31           H        TYR  31   4.257  -5.679   2.594
    2    HA   TYR  31           HA       TYR  31   2.423  -6.509   0.514
    3    HB2  TYR  31           HB2      TYR  31   3.096  -8.220   2.853
    4    HB3  TYR  31           HB3      TYR  31   1.401  -8.120   2.389
    5    HD1  TYR  31           HD1      TYR  31   1.561  -7.976  -0.535
    6    HD2  TYR  31           HD2      TYR  31   3.800 -10.339   2.204
    7    HE1  TYR  31           HE1      TYR  31   1.943  -9.648  -2.298
    8    HE2  TYR  31           HE2      TYR  31   4.189 -12.016   0.449
    9    HH   TYR  31           HH       TYR  31   3.081 -12.743  -1.682

  No H/Q in entry =           9
  In of MODEL   34
    1    H    CYS  32           H        CYS  32   0.679  -5.263   0.622
    2    HA   CYS  32           HA       CYS  32   0.254  -3.586   2.939
    3    HB2  CYS  32           HB2      CYS  32   0.047  -2.847   0.496
    4    HB3  CYS  32           HB3      CYS  32  -1.490  -3.705   0.483

  No H/Q in entry =           4
  In of MODEL   34
    1    H    THR  33           H        THR  33  -1.758  -3.417   4.061
    2    HA   THR  33           HA       THR  33  -3.070  -6.008   4.358
    3    HB   THR  33           HB       THR  33  -2.331  -5.119   6.426
    4    HG1  THR  33           HG1      THR  33  -5.072  -4.424   6.287
    5   HG21  THR  33          HG21      THR  33  -3.151  -2.556   5.316
    6   HG23  THR  33          HG22      THR  33  -1.942  -2.933   6.545
    7   HG22  THR  33          HG23      THR  33  -3.642  -2.794   6.993

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY  34           H        GLY  34  -3.576  -3.390   2.477
    2    HA3  GLY  34           HA2      GLY  34  -5.398  -2.515   1.393
    3    HA2  GLY  34           HA3      GLY  34  -6.160  -4.065   1.712

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ARG  35           H        ARG  35  -5.095  -1.671   4.086
    2    HA   ARG  35           HA       ARG  35  -7.914  -1.340   4.880
    3    HB2  ARG  35           HB2      ARG  35  -6.041  -2.499   6.414
    4    HB3  ARG  35           HB3      ARG  35  -5.767  -0.820   6.862
    5    HG2  ARG  35           HG2      ARG  35  -8.432  -0.903   7.096
    6    HG3  ARG  35           HG3      ARG  35  -8.053  -2.592   7.442
    7    HD2  ARG  35           HD2      ARG  35  -7.780  -1.824   9.544
    8    HD3  ARG  35           HD3      ARG  35  -6.185  -1.366   8.948
    9    HE   ARG  35           HE       ARG  35  -7.696   0.801   8.378
   10   HH11  ARG  35          HH11      ARG  35  -7.198  -1.051  11.293
   11   HH12  ARG  35          HH12      ARG  35  -7.455   0.301  12.345
   12   HH21  ARG  35          HH21      ARG  35  -8.034   2.580   9.759
   13   HH22  ARG  35          HH22      ARG  35  -7.930   2.362  11.474

  No H/Q in entry =          13
  In of MODEL   34
    1    H    SER  36           H        SER  36  -4.795   0.233   4.480
    2    HA   SER  36           HA       SER  36  -6.063   2.742   3.905
    3    HB2  SER  36           HB2      SER  36  -6.097   2.909   6.325
    4    HB3  SER  36           HB3      SER  36  -4.391   2.474   6.414
    5    HG   SER  36           HG       SER  36  -4.123   4.562   6.350

  No H/Q in entry =           5
  In of MODEL   34
    1    H    CYS  37           H        CYS  37  -4.281   4.495   3.639
    2    HA   CYS  37           HA       CYS  37  -2.412   3.485   1.751
    3    HB2  CYS  37           HB2      CYS  37  -2.708   6.224   2.996
    4    HB3  CYS  37           HB3      CYS  37  -1.588   5.853   1.690

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLU  38           H        GLU  38  -2.269   4.267   5.134
    2    HA   GLU  38           HA       GLU  38   0.510   4.563   5.427
    3    HB2  GLU  38           HB2      GLU  38  -1.496   4.926   7.105
    4    HB3  GLU  38           HB3      GLU  38  -1.114   3.277   7.581
    5    HG2  GLU  38           HG2      GLU  38   1.348   4.376   7.616
    6    HG3  GLU  38           HG3      GLU  38   0.362   5.774   8.044

  No H/Q in entry =           6
  In of MODEL   34
    1    H    CYS  39           H        CYS  39   1.438   2.952   4.078
    2    HA   CYS  39           HA       CYS  39   0.984   0.192   4.359
    3    HB2  CYS  39           HB2      CYS  39   2.258   1.567   2.515
    4    HB3  CYS  39           HB3      CYS  39   3.662   1.244   3.527

  No H/Q in entry =           4
  In of MODEL   34
    1    HA   PRO  40           HA       PRO  40   3.059  -0.555   8.223
    2    HB2  PRO  40           HB2      PRO  40   3.217  -3.257   8.080
    3    HB3  PRO  40           HB3      PRO  40   1.707  -2.405   8.426
    4    HG2  PRO  40           HG2      PRO  40   2.683  -3.554   5.839
    5    HG3  PRO  40           HG3      PRO  40   1.064  -3.636   6.560
    6    HD2  PRO  40           HD2      PRO  40   1.699  -1.886   4.592
    7    HD3  PRO  40           HD3      PRO  40   0.503  -1.517   5.850

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  41           H        SER  41   5.004  -1.804   9.029
    2    HA   SER  41           HA       SER  41   7.117  -1.761   6.976
    3    HB2  SER  41           HB2      SER  41   7.464   0.002   8.599
    4    HB3  SER  41           HB3      SER  41   7.283  -1.138   9.933
    5    HG   SER  41           HG       SER  41   9.381  -1.256   9.757

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  42           H        TYR  42   5.482  -4.044   7.531
    2    HA   TYR  42           HA       TYR  42   7.359  -5.836   8.911
    3    HB2  TYR  42           HB2      TYR  42   4.459  -6.298   8.182
    4    HB3  TYR  42           HB3      TYR  42   5.484  -7.409   9.084
    5    HD1  TYR  42           HD1      TYR  42   3.010  -4.990   9.402
    6    HD2  TYR  42           HD2      TYR  42   6.642  -6.254  11.220
    7    HE1  TYR  42           HE1      TYR  42   2.332  -3.900  11.499
    8    HE2  TYR  42           HE2      TYR  42   5.975  -5.168  13.322
    9    HH   TYR  42           HH       TYR  42   3.099  -4.412  14.171

  No H/Q in entry =           9
  In of MODEL   34
    1    HA   PRO  43           HA       PRO  43   8.066  -6.856   4.478
    2    HB2  PRO  43           HB2      PRO  43  10.663  -7.569   4.810
    3    HB3  PRO  43           HB3      PRO  43  10.151  -5.892   4.584
    4    HG2  PRO  43           HG2      PRO  43  10.831  -7.341   7.115
    5    HG3  PRO  43           HG3      PRO  43  11.286  -5.704   6.606
    6    HD2  PRO  43           HD2      PRO  43   9.262  -6.180   8.341
    7    HD3  PRO  43           HD3      PRO  43   9.246  -4.814   7.207

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY  44           H        GLY  44   6.759  -8.693   4.497
    2    HA3  GLY  44           HA2      GLY  44   7.487 -11.120   4.009
    3    HA2  GLY  44           HA3      GLY  44   7.895 -11.118   5.718

  No H/Q in entry =           3
  In of MODEL   35
    1    H1   ALA   1           H3       ALA   1 -14.389   5.374   6.243
    2    H2   ALA   1           H2       ALA   1 -13.419   4.653   5.026
    3    H3   ALA   1           H1       ALA   1 -12.846   4.743   6.641
    4    HA   ALA   1           HA       ALA   1 -12.661   7.048   6.550
    5    HB2  ALA   1           HB1      ALA   1 -11.541   6.419   3.893
    6    HB1  ALA   1           HB2      ALA   1 -11.052   5.365   5.219
    7    HB3  ALA   1           HB3      ALA   1 -10.766   7.102   5.322

  No H/Q in entry =           7
  In of MODEL   35
    1    H    MET   2           H        MET   2 -12.249   8.702   4.446
    2    HA   MET   2           HA       MET   2 -14.474   8.751   2.641
    3    HB2  MET   2           HB2      MET   2 -15.513  10.797   3.493
    4    HB3  MET   2           HB3      MET   2 -15.600   9.504   4.681
    5    HG2  MET   2           HG2      MET   2 -14.257  10.568   6.145
    6    HG3  MET   2           HG3      MET   2 -13.273  11.302   4.881
    7    HE1  MET   2           HE1      MET   2 -13.806  12.458   7.359
    8    HE3  MET   2           HE2      MET   2 -15.365  13.200   7.720
    9    HE2  MET   2           HE3      MET   2 -14.103  14.142   6.926

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP   3           H        ASP   3 -11.632   8.850   2.423
    2    HA   ASP   3           HA       ASP   3 -11.386  11.373   0.968
    3    HB2  ASP   3           HB2      ASP   3  -9.574  10.430   3.166
    4    HB3  ASP   3           HB3      ASP   3  -8.935  11.419   1.857

  No H/Q in entry =           4
  In of MODEL   35
    1    H    CYS   4           H        CYS   4  -9.831  11.336  -0.724
    2    HA   CYS   4           HA       CYS   4  -9.695   8.920  -2.136
    3    HB2  CYS   4           HB2      CYS   4  -8.573  11.640  -2.451
    4    HB3  CYS   4           HB3      CYS   4  -7.719  10.356  -3.301

  No H/Q in entry =           4
  In of MODEL   35
    1    H    THR   5           H        THR   5  -7.462  10.441   0.093
    2    HA   THR   5           HA       THR   5  -5.584   9.687   1.130
    3    HB   THR   5           HB       THR   5  -5.860   6.909   0.136
    4    HG1  THR   5           HG1      THR   5  -7.694   6.536   1.364
    5   HG23  THR   5          HG21      THR   5  -5.507   6.307   2.413
    6   HG22  THR   5          HG22      THR   5  -5.742   7.973   2.944
    7   HG21  THR   5          HG23      THR   5  -4.328   7.545   1.980

  No H/Q in entry =           7
  In of MODEL   35
    1    H    THR   6           H        THR   6  -3.467   9.717   0.606
    2    HA   THR   6           HA       THR   6  -2.711   8.881  -2.113
    3    HB   THR   6           HB       THR   6  -0.982  10.877  -1.779
    4    HG1  THR   6           HG1      THR   6  -1.550  12.269  -0.329
    5   HG23  THR   6          HG21      THR   6  -2.043  11.713  -3.522
    6   HG22  THR   6          HG22      THR   6  -3.412  12.181  -2.513
    7   HG21  THR   6          HG23      THR   6  -3.357  10.572  -3.234

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY   7           H        GLY   7  -0.798   7.810  -2.318
    2    HA3  GLY   7           HA2      GLY   7   1.467   7.838  -0.859
    3    HA2  GLY   7           HA3      GLY   7   0.407   6.849   0.135

  No H/Q in entry =           3
  In of MODEL   35
    1    HA   PRO   8           HA       PRO   8   2.559   4.079  -2.924
    2    HB2  PRO   8           HB2      PRO   8   3.319   2.198  -1.129
    3    HB3  PRO   8           HB3      PRO   8   4.280   3.644  -1.460
    4    HG2  PRO   8           HG2      PRO   8   2.389   3.104   0.797
    5    HG3  PRO   8           HG3      PRO   8   3.991   3.862   0.838
    6    HD2  PRO   8           HD2      PRO   8   1.690   5.296   0.893
    7    HD3  PRO   8           HD3      PRO   8   3.181   5.904   0.147

  No H/Q in entry =           7
  In of MODEL   35
    1    H    CYS   9           H        CYS   9   0.208   3.545  -0.384
    2    HA   CYS   9           HA       CYS   9  -0.732   1.097  -1.683
    3    HB2  CYS   9           HB2      CYS   9  -0.976   2.258   1.031
    4    HB3  CYS   9           HB3      CYS   9  -2.369   1.356   0.446

  No H/Q in entry =           4
  In of MODEL   35
    1    H    CYS  10           H        CYS  10  -1.098   3.744  -2.884
    2    HA   CYS  10           HA       CYS  10  -4.044   3.777  -2.963
    3    HB2  CYS  10           HB2      CYS  10  -2.106   6.086  -3.023
    4    HB3  CYS  10           HB3      CYS  10  -3.759   6.239  -3.610

  No H/Q in entry =           4
  In of MODEL   35
    1    H    ARG  11           H        ARG  11  -5.001   3.839  -4.959
    2    HA   ARG  11           HA       ARG  11  -3.296   3.173  -7.198
    3    HB2  ARG  11           HB2      ARG  11  -6.185   2.983  -6.583
    4    HB3  ARG  11           HB3      ARG  11  -5.768   3.203  -8.277
    5    HG2  ARG  11           HG2      ARG  11  -4.870   1.140  -8.468
    6    HG3  ARG  11           HG3      ARG  11  -4.254   1.134  -6.815
    7    HD2  ARG  11           HD2      ARG  11  -6.297   0.466  -5.925
    8    HD3  ARG  11           HD3      ARG  11  -7.197   0.995  -7.345
    9    HE   ARG  11           HE       ARG  11  -5.989  -1.557  -6.930
   10   HH11  ARG  11          HH11      ARG  11  -6.845   0.774  -9.382
   11   HH12  ARG  11          HH12      ARG  11  -6.961  -0.408 -10.642
   12   HH21  ARG  11          HH21      ARG  11  -6.139  -3.112  -8.587
   13   HH22  ARG  11          HH22      ARG  11  -6.560  -2.614 -10.191

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  12           H        GLN  12  -6.216   5.094  -7.584
    2    HA   GLN  12           HA       GLN  12  -4.567   7.228  -8.771
    3    HB2  GLN  12           HB2      GLN  12  -6.006   5.778 -10.330
    4    HB3  GLN  12           HB3      GLN  12  -7.386   6.605  -9.619
    5    HG2  GLN  12           HG2      GLN  12  -5.145   8.224 -10.719
    6    HG3  GLN  12           HG3      GLN  12  -6.286   7.466 -11.829
    7   HE21  GLN  12          HE21      GLN  12  -5.643  10.184 -10.071
    8   HE22  GLN  12          HE22      GLN  12  -7.226  10.874 -10.026

  No H/Q in entry =           8
  In of MODEL   35
    1    H    CYS  13           H        CYS  13  -7.080   6.417  -6.555
    2    HA   CYS  13           HA       CYS  13  -7.013   8.867  -5.226
    3    HB2  CYS  13           HB2      CYS  13  -8.359   9.231  -7.556
    4    HB3  CYS  13           HB3      CYS  13  -9.683   8.769  -6.491

  No H/Q in entry =           4
  In of MODEL   35
    1    H    LYS  14           H        LYS  14  -7.050   6.103  -4.606
    2    HA   LYS  14           HA       LYS  14  -8.970   6.105  -2.504
    3    HB2  LYS  14           HB2      LYS  14  -9.539   4.564  -4.986
    4    HB3  LYS  14           HB3      LYS  14  -9.895   3.789  -3.449
    5    HG2  LYS  14           HG2      LYS  14 -11.068   6.136  -2.997
    6    HG3  LYS  14           HG3      LYS  14 -11.191   6.102  -4.757
    7    HD2  LYS  14           HD2      LYS  14 -11.955   3.655  -3.249
    8    HD3  LYS  14           HD3      LYS  14 -13.054   5.034  -3.206
    9    HE2  LYS  14           HE2      LYS  14 -13.497   3.356  -5.026
   10    HE3  LYS  14           HE3      LYS  14 -13.303   5.024  -5.564
   11    HZ3  LYS  14           HZ1      LYS  14 -11.133   4.568  -6.337
   12    HZ2  LYS  14           HZ2      LYS  14 -12.105   3.308  -6.911
   13    HZ1  LYS  14           HZ3      LYS  14 -11.088   3.054  -5.583

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  15           H        LEU  15  -8.570   4.512  -0.961
    2    HA   LEU  15           HA       LEU  15  -5.944   3.584  -0.761
    3    HB2  LEU  15           HB2      LEU  15  -8.154   3.717   0.900
    4    HB3  LEU  15           HB3      LEU  15  -7.863   1.994   0.755
    5    HG   LEU  15           HG       LEU  15  -5.495   3.671   1.344
    6   HD12  LEU  15          HD11      LEU  15  -7.618   3.131   3.415
    7   HD11  LEU  15          HD12      LEU  15  -7.203   4.712   2.754
    8   HD13  LEU  15          HD13      LEU  15  -6.022   3.819   3.712
    9   HD23  LEU  15          HD21      LEU  15  -6.262   1.273   2.898
   10   HD22  LEU  15          HD22      LEU  15  -4.690   1.762   2.264
   11   HD21  LEU  15          HD23      LEU  15  -5.887   1.037   1.191

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  16           H        LYS  16  -4.954   2.016  -1.828
    2    HA   LYS  16           HA       LYS  16  -6.177   0.245  -3.592
    3    HB2  LYS  16           HB2      LYS  16  -3.492   0.200  -2.229
    4    HB3  LYS  16           HB3      LYS  16  -3.972  -1.050  -3.368
    5    HG2  LYS  16           HG2      LYS  16  -4.524   1.127  -4.834
    6    HG3  LYS  16           HG3      LYS  16  -3.208   1.756  -3.840
    7    HD2  LYS  16           HD2      LYS  16  -3.085  -0.787  -5.460
    8    HD3  LYS  16           HD3      LYS  16  -2.432   0.770  -5.976
    9    HE2  LYS  16           HE2      LYS  16  -1.103   0.715  -3.783
   10    HE3  LYS  16           HE3      LYS  16  -1.529  -0.994  -3.721
   11    HZ3  LYS  16           HZ1      LYS  16   0.497  -0.992  -4.799
   12    HZ2  LYS  16           HZ2      LYS  16   0.168   0.418  -5.673
   13    HZ1  LYS  16           HZ3      LYS  16  -0.587  -1.035  -6.098

  No H/Q in entry =          13
  In of MODEL   35
    1    HA   PRO  17           HA       PRO  17  -7.761  -3.058  -1.142
    2    HB2  PRO  17           HB2      PRO  17  -7.259  -5.219  -2.713
    3    HB3  PRO  17           HB3      PRO  17  -8.518  -4.034  -3.079
    4    HG2  PRO  17           HG2      PRO  17  -5.751  -4.266  -4.199
    5    HG3  PRO  17           HG3      PRO  17  -7.274  -3.925  -5.041
    6    HD2  PRO  17           HD2      PRO  17  -5.511  -1.980  -4.395
    7    HD3  PRO  17           HD3      PRO  17  -7.264  -1.702  -4.424

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ALA  18           H        ALA  18  -7.146  -4.531   0.385
    2    HA   ALA  18           HA       ALA  18  -4.504  -4.585   1.269
    3    HB1  ALA  18           HB1      ALA  18  -6.853  -5.297   2.360
    4    HB3  ALA  18           HB2      ALA  18  -5.289  -5.762   3.029
    5    HB2  ALA  18           HB3      ALA  18  -6.185  -6.892   2.014

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  19           H        GLY  19  -2.767  -5.634   0.566
    2    HA3  GLY  19           HA2      GLY  19  -1.898  -7.942   0.112
    3    HA2  GLY  19           HA3      GLY  19  -3.179  -8.050  -1.086

  No H/Q in entry =           3
  In of MODEL   35
    1    H    THR  20           H        THR  20  -2.719  -5.168  -1.807
    2    HA   THR  20           HA       THR  20  -0.924  -5.622  -3.948
    3    HB   THR  20           HB       THR  20  -1.748  -2.897  -2.972
    4    HG1  THR  20           HG1      THR  20  -3.736  -3.241  -3.572
    5   HG21  THR  20          HG21      THR  20  -1.333  -4.016  -5.732
    6   HG23  THR  20          HG22      THR  20  -0.271  -2.893  -4.883
    7   HG22  THR  20          HG23      THR  20  -1.892  -2.386  -5.359

  No H/Q in entry =           7
  In of MODEL   35
    1    H    THR  21           H        THR  21   1.217  -5.607  -3.923
    2    HA   THR  21           HA       THR  21   2.656  -4.637  -1.623
    3    HB   THR  21           HB       THR  21   4.441  -5.305  -3.740
    4    HG1  THR  21           HG1      THR  21   3.109  -6.528  -4.854
    5   HG21  THR  21          HG21      THR  21   3.683  -6.432  -1.117
    6   HG23  THR  21          HG22      THR  21   5.264  -5.964  -1.743
    7   HG22  THR  21          HG23      THR  21   4.533  -7.489  -2.244

  No H/Q in entry =           7
  In of MODEL   35
    1    H    CYS  22           H        CYS  22   3.986  -2.882  -1.487
    2    HA   CYS  22           HA       CYS  22   3.768  -0.944  -3.684
    3    HB2  CYS  22           HB2      CYS  22   4.410   0.738  -1.940
    4    HB3  CYS  22           HB3      CYS  22   2.885  -0.083  -1.623

  No H/Q in entry =           4
  In of MODEL   35
    1    H    TRP  23           H        TRP  23   6.081  -2.395  -1.430
    2    HA   TRP  23           HA       TRP  23   8.262  -1.419  -3.155
    3    HB2  TRP  23           HB2      TRP  23   8.128  -0.669  -0.683
    4    HB3  TRP  23           HB3      TRP  23   8.644  -2.309  -0.307
    5    HD1  TRP  23           HD1      TRP  23   9.970   0.041  -3.096
    6    HE1  TRP  23           HE1      TRP  23  12.513   0.284  -2.780
    7    HE3  TRP  23           HE3      TRP  23  10.520  -2.683   1.196
    8    HZ2  TRP  23           HZ2      TRP  23  14.490  -0.567  -0.954
    9    HZ3  TRP  23           HZ3      TRP  23  12.770  -2.920   2.162
   10    HH2  TRP  23           HH2      TRP  23  14.714  -1.884   1.108

  No H/Q in entry =          10
  In of MODEL   35
    1    H    ARG  24           H        ARG  24   9.865  -2.840  -3.795
    2    HA   ARG  24           HA       ARG  24  10.190  -5.465  -2.855
    3    HB2  ARG  24           HB2      ARG  24   7.920  -5.655  -3.965
    4    HB3  ARG  24           HB3      ARG  24   8.733  -5.359  -5.495
    5    HG2  ARG  24           HG2      ARG  24   9.807  -7.395  -5.476
    6    HG3  ARG  24           HG3      ARG  24   9.689  -7.559  -3.723
    7    HD2  ARG  24           HD2      ARG  24   7.928  -8.877  -4.059
    8    HD3  ARG  24           HD3      ARG  24   7.051  -7.446  -4.596
    9    HE   ARG  24           HE       ARG  24   8.058  -9.583  -6.236
   10   HH11  ARG  24          HH11      ARG  24   7.069  -6.237  -6.180
   11   HH12  ARG  24          HH12      ARG  24   6.703  -6.187  -7.871
   12   HH21  ARG  24          HH21      ARG  24   7.577  -9.519  -8.461
   13   HH22  ARG  24          HH22      ARG  24   6.990  -8.050  -9.166

  No H/Q in entry =          13
  In of MODEL   35
    1    H    THR  25           H        THR  25  12.353  -4.916  -3.027
    2    HA   THR  25           HA       THR  25  13.469  -4.072  -5.549
    3    HB   THR  25           HB       THR  25  14.454  -3.184  -3.539
    4    HG1  THR  25           HG1      THR  25  16.605  -3.757  -3.911
    5   HG22  THR  25          HG21      THR  25  15.750  -4.669  -2.008
    6   HG21  THR  25          HG22      THR  25  14.932  -6.042  -2.752
    7   HG23  THR  25          HG23      THR  25  13.997  -4.821  -1.889

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  26           H        SER  26  13.312  -7.020  -3.644
    2    HA   SER  26           HA       SER  26  13.594  -8.725  -5.840
    3    HB2  SER  26           HB2      SER  26  15.890  -8.072  -6.013
    4    HB3  SER  26           HB3      SER  26  16.134  -8.247  -4.275
    5    HG   SER  26           HG       SER  26  16.860 -10.135  -4.938

  No H/Q in entry =           5
  In of MODEL   35
    1    H    VAL  27           H        VAL  27  14.204  -8.300  -2.398
    2    HA   VAL  27           HA       VAL  27  13.042 -10.967  -1.926
    3    HB   VAL  27           HB       VAL  27  15.393 -10.844  -1.224
    4   HG13  VAL  27          HG11      VAL  27  16.127  -9.386   0.539
    5   HG12  VAL  27          HG12      VAL  27  14.499  -8.736   0.736
    6   HG11  VAL  27          HG13      VAL  27  15.406  -8.410  -0.740
    7   HG22  VAL  27          HG21      VAL  27  15.052 -12.086   0.640
    8   HG21  VAL  27          HG22      VAL  27  13.369 -11.966   0.126
    9   HG23  VAL  27          HG23      VAL  27  13.988 -10.888   1.377

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  28           H        SER  28  13.171  -7.615  -0.866
    2    HA   SER  28           HA       SER  28  11.416  -7.817   1.317
    3    HB2  SER  28           HB2      SER  28  12.407  -5.605  -0.414
    4    HB3  SER  28           HB3      SER  28  10.975  -5.291   0.567
    5    HG   SER  28           HG       SER  28  12.311  -6.178   2.354

  No H/Q in entry =           5
  In of MODEL   35
    1    H    SER  29           H        SER  29   9.202  -7.124   1.484
    2    HA   SER  29           HA       SER  29   7.572  -6.743  -0.817
    3    HB2  SER  29           HB2      SER  29   6.212  -8.922  -0.252
    4    HB3  SER  29           HB3      SER  29   7.621  -9.010  -1.309
    5    HG   SER  29           HG       SER  29   7.651  -9.506   1.486

  No H/Q in entry =           5
  In of MODEL   35
    1    H    HIS  30           H        HIS  30   6.284  -5.231   0.000
    2    HA   HIS  30           HA       HIS  30   5.057  -5.718   2.636
    3    HB2  HIS  30           HB2      HIS  30   5.628  -3.016   1.404
    4    HB3  HIS  30           HB3      HIS  30   5.028  -3.335   3.028
    5    HD1  HIS  30           HD1      HIS  30   6.739  -3.660   4.827
    6    HD2  HIS  30           HD2      HIS  30   8.385  -3.841   1.016
    7    HE1  HIS  30           HE1      HIS  30   9.228  -3.739   5.173
    8    HE2  HIS  30           HE2      HIS  30  10.206  -3.763   2.851

  No H/Q in entry =           8
  In of MODEL   35
    1    H    TYR  31           H        TYR  31   3.157  -6.627   1.964
    2    HA   TYR  31           HA       TYR  31   1.619  -5.586  -0.208
    3    HB2  TYR  31           HB2      TYR  31   0.784  -7.482   1.997
    4    HB3  TYR  31           HB3      TYR  31  -0.083  -7.200   0.491
    5    HD1  TYR  31           HD1      TYR  31   1.892  -9.492   2.071
    6    HD2  TYR  31           HD2      TYR  31   1.665  -7.428  -1.641
    7    HE1  TYR  31           HE1      TYR  31   3.185 -11.289   1.000
    8    HE2  TYR  31           HE2      TYR  31   2.955  -9.219  -2.724
    9    HH   TYR  31           HH       TYR  31   4.756 -11.050  -1.727

  No H/Q in entry =           9
  In of MODEL   35
    1    H    CYS  32           H        CYS  32  -0.482  -4.625  -0.067
    2    HA   CYS  32           HA       CYS  32  -0.622  -2.569   1.917
    3    HB2  CYS  32           HB2      CYS  32  -2.359  -3.374  -0.402
    4    HB3  CYS  32           HB3      CYS  32  -2.888  -2.141   0.737

  No H/Q in entry =           4
  In of MODEL   35
    1    H    THR  33           H        THR  33  -2.187  -2.260   3.509
    2    HA   THR  33           HA       THR  33  -3.350  -4.733   4.526
    3    HB   THR  33           HB       THR  33  -3.849  -3.264   6.547
    4    HG1  THR  33           HG1      THR  33  -3.567  -1.287   5.232
    5   HG21  THR  33          HG21      THR  33  -1.463  -4.495   5.781
    6   HG23  THR  33          HG22      THR  33  -1.971  -4.040   7.408
    7   HG22  THR  33          HG23      THR  33  -1.010  -2.923   6.438

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY  34           H        GLY  34  -4.374  -2.602   2.357
    2    HA3  GLY  34           HA2      GLY  34  -6.417  -1.841   1.637
    3    HA2  GLY  34           HA3      GLY  34  -7.048  -3.281   2.420

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ARG  35           H        ARG  35  -5.420  -0.794   4.244
    2    HA   ARG  35           HA       ARG  35  -7.994   0.256   5.173
    3    HB2  ARG  35           HB2      ARG  35  -7.045   0.205   7.529
    4    HB3  ARG  35           HB3      ARG  35  -7.529  -1.343   6.849
    5    HG2  ARG  35           HG2      ARG  35  -5.178  -1.804   6.286
    6    HG3  ARG  35           HG3      ARG  35  -4.719  -0.278   7.045
    7    HD2  ARG  35           HD2      ARG  35  -4.347  -2.043   8.620
    8    HD3  ARG  35           HD3      ARG  35  -5.735  -1.101   9.162
    9    HE   ARG  35           HE       ARG  35  -6.607  -3.280   7.597
   10   HH11  ARG  35          HH11      ARG  35  -5.257  -2.560  10.734
   11   HH12  ARG  35          HH12      ARG  35  -5.977  -3.938  11.498
   12   HH21  ARG  35          HH21      ARG  35  -7.554  -5.092   8.600
   13   HH22  ARG  35          HH22      ARG  35  -7.280  -5.376  10.287

  No H/Q in entry =          13
  In of MODEL   35
    1    H    SER  36           H        SER  36  -4.474   0.596   5.268
    2    HA   SER  36           HA       SER  36  -4.843   3.519   5.289
    3    HB2  SER  36           HB2      SER  36  -3.057   1.785   6.911
    4    HB3  SER  36           HB3      SER  36  -2.377   3.306   6.334
    5    HG   SER  36           HG       SER  36  -3.770   4.412   7.538

  No H/Q in entry =           5
  In of MODEL   35
    1    H    CYS  37           H        CYS  37  -3.642   4.716   3.874
    2    HA   CYS  37           HA       CYS  37  -2.527   3.327   1.629
    3    HB2  CYS  37           HB2      CYS  37  -3.824   5.492   1.509
    4    HB3  CYS  37           HB3      CYS  37  -2.407   6.294   2.178

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLU  38           H        GLU  38  -1.270   4.377   4.594
    2    HA   GLU  38           HA       GLU  38   1.410   4.886   3.636
    3    HB2  GLU  38           HB2      GLU  38   0.171   4.749   6.379
    4    HB3  GLU  38           HB3      GLU  38   1.905   4.923   6.147
    5    HG2  GLU  38           HG2      GLU  38   1.653   7.027   5.108
    6    HG3  GLU  38           HG3      GLU  38  -0.089   6.814   4.941

  No H/Q in entry =           6
  In of MODEL   35
    1    H    CYS  39           H        CYS  39   2.396   3.127   2.815
    2    HA   CYS  39           HA       CYS  39   2.012   0.478   3.609
    3    HB2  CYS  39           HB2      CYS  39   3.763   1.919   1.820
    4    HB3  CYS  39           HB3      CYS  39   4.651   0.647   2.652

  No H/Q in entry =           4
  In of MODEL   35
    1    HA   PRO  40           HA       PRO  40   4.250   0.126   7.398
    2    HB2  PRO  40           HB2      PRO  40   4.958  -2.491   7.325
    3    HB3  PRO  40           HB3      PRO  40   3.299  -1.957   7.618
    4    HG2  PRO  40           HG2      PRO  40   4.554  -2.936   5.082
    5    HG3  PRO  40           HG3      PRO  40   2.966  -3.329   5.769
    6    HD2  PRO  40           HD2      PRO  40   3.287  -1.527   3.771
    7    HD3  PRO  40           HD3      PRO  40   2.009  -1.381   4.994

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  41           H        SER  41   6.388  -0.846   8.254
    2    HA   SER  41           HA       SER  41   8.503  -0.134   6.341
    3    HB2  SER  41           HB2      SER  41   8.501   1.276   8.307
    4    HB3  SER  41           HB3      SER  41   8.491  -0.134   9.367
    5    HG   SER  41           HG       SER  41  10.583   1.123   8.278

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  42           H        TYR  42   7.370  -2.633   8.501
    2    HA   TYR  42           HA       TYR  42   9.742  -4.256   8.156
    3    HB2  TYR  42           HB2      TYR  42   8.386  -5.949   9.462
    4    HB3  TYR  42           HB3      TYR  42   8.708  -4.431  10.294
    5    HD1  TYR  42           HD1      TYR  42   6.926  -2.941  10.886
    6    HD2  TYR  42           HD2      TYR  42   6.127  -6.440   8.602
    7    HE1  TYR  42           HE1      TYR  42   4.518  -2.645  11.286
    8    HE2  TYR  42           HE2      TYR  42   3.717  -6.154   8.995
    9    HH   TYR  42           HH       TYR  42   2.153  -4.261   9.551

  No H/Q in entry =           9
  In of MODEL   35
    1    HA   PRO  43           HA       PRO  43   8.704  -6.513   4.526
    2    HB2  PRO  43           HB2      PRO  43   9.252  -8.965   6.130
    3    HB3  PRO  43           HB3      PRO  43   9.913  -8.472   4.567
    4    HG2  PRO  43           HG2      PRO  43  11.379  -8.274   6.779
    5    HG3  PRO  43           HG3      PRO  43  11.450  -7.022   5.525
    6    HD2  PRO  43           HD2      PRO  43  10.087  -6.974   8.179
    7    HD3  PRO  43           HD3      PRO  43  10.898  -5.661   7.301

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY  44           H        GLY  44   7.441  -8.653   3.925
    2    HA3  GLY  44           HA2      GLY  44   5.222  -9.216   5.711
    3    HA2  GLY  44           HA3      GLY  44   4.796  -8.355   4.240

  No H/Q in entry =           3
  In of MODEL   36
    1    H1   ALA   1           H1       ALA   1 -15.157  16.825  -2.907
    2    H2   ALA   1           H3       ALA   1 -16.439  15.688  -2.874
    3    H3   ALA   1           H2       ALA   1 -15.952  16.472  -1.427
    4    HA   ALA   1           HA       ALA   1 -15.056  14.387  -1.286
    5    HB2  ALA   1           HB1      ALA   1 -14.349  14.761  -4.184
    6    HB1  ALA   1           HB2      ALA   1 -15.395  13.539  -3.460
    7    HB3  ALA   1           HB3      ALA   1 -13.654  13.481  -3.189

  No H/Q in entry =           7
  In of MODEL   36
    1    H    MET   2           H        MET   2 -13.765  15.255   0.271
    2    HA   MET   2           HA       MET   2 -11.371  16.728  -0.559
    3    HB2  MET   2           HB2      MET   2 -13.107  17.332   1.395
    4    HB3  MET   2           HB3      MET   2 -11.995  16.330   2.316
    5    HG2  MET   2           HG2      MET   2 -11.346  18.620   2.533
    6    HG3  MET   2           HG3      MET   2 -10.136  17.773   1.571
    7    HE3  MET   2           HE1      MET   2 -12.862  21.130   0.732
    8    HE2  MET   2           HE2      MET   2 -11.210  21.537   1.197
    9    HE1  MET   2           HE3      MET   2 -12.171  20.459   2.209

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP   3           H        ASP   3  -9.296  16.141   0.183
    2    HA   ASP   3           HA       ASP   3  -7.594  14.694   0.610
    3    HB2  ASP   3           HB2      ASP   3  -9.569  13.174   2.318
    4    HB3  ASP   3           HB3      ASP   3  -7.815  13.194   2.470

  No H/Q in entry =           4
  In of MODEL   36
    1    H    CYS   4           H        CYS   4  -6.784  12.535   0.165
    2    HA   CYS   4           HA       CYS   4  -8.535  10.614  -1.074
    3    HB2  CYS   4           HB2      CYS   4  -7.260  12.604  -2.694
    4    HB3  CYS   4           HB3      CYS   4  -6.556  11.034  -3.065

  No H/Q in entry =           4
  In of MODEL   36
    1    H    THR   5           H        THR   5  -7.788   8.671  -0.564
    2    HA   THR   5           HA       THR   5  -5.361   8.251   0.775
    3    HB   THR   5           HB       THR   5  -6.004   5.762  -0.187
    4    HG1  THR   5           HG1      THR   5  -8.258   5.680  -0.241
    5   HG23  THR   5          HG21      THR   5  -6.235   5.435   1.980
    6   HG22  THR   5          HG22      THR   5  -7.796   6.254   1.937
    7   HG21  THR   5          HG23      THR   5  -6.325   7.176   2.248

  No H/Q in entry =           7
  In of MODEL   36
    1    H    THR   6           H        THR   6  -3.438   8.607  -0.136
    2    HA   THR   6           HA       THR   6  -2.945   7.478  -2.813
    3    HB   THR   6           HB       THR   6  -1.175   9.641  -1.834
    4    HG1  THR   6           HG1      THR   6  -2.650  11.115  -1.729
    5   HG23  THR   6          HG21      THR   6  -0.723   8.936  -4.018
    6   HG22  THR   6          HG22      THR   6  -1.597  10.457  -4.193
    7   HG21  THR   6          HG23      THR   6  -2.431   8.925  -4.459

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY   7           H        GLY   7  -0.493   7.141  -3.167
    2    HA3  GLY   7           HA2      GLY   7   1.622   6.651  -2.008
    3    HA2  GLY   7           HA3      GLY   7   0.656   5.954  -0.716

  No H/Q in entry =           3
  In of MODEL   36
    1    HA   PRO   8           HA       PRO   8   2.193   2.802  -4.047
    2    HB2  PRO   8           HB2      PRO   8   3.383   1.679  -1.558
    3    HB3  PRO   8           HB3      PRO   8   4.044   1.735  -3.196
    4    HG2  PRO   8           HG2      PRO   8   4.943   3.388  -1.312
    5    HG3  PRO   8           HG3      PRO   8   4.735   3.938  -2.985
    6    HD2  PRO   8           HD2      PRO   8   3.041   4.473  -0.587
    7    HD3  PRO   8           HD3      PRO   8   3.427   5.533  -1.958

  No H/Q in entry =           7
  In of MODEL   36
    1    H    CYS   9           H        CYS   9   0.749   2.756  -0.862
    2    HA   CYS   9           HA       CYS   9  -0.582   0.210  -1.492
    3    HB2  CYS   9           HB2      CYS   9   0.767   0.462   0.658
    4    HB3  CYS   9           HB3      CYS   9  -0.501   1.553   1.206

  No H/Q in entry =           4
  In of MODEL   36
    1    H    CYS  10           H        CYS  10  -1.321   2.923  -2.489
    2    HA   CYS  10           HA       CYS  10  -4.143   2.707  -1.970
    3    HB2  CYS  10           HB2      CYS  10  -2.513   4.938  -0.830
    4    HB3  CYS  10           HB3      CYS  10  -4.133   5.290  -1.420

  No H/Q in entry =           4
  In of MODEL   36
    1    H    ARG  11           H        ARG  11  -4.826   2.695  -4.008
    2    HA   ARG  11           HA       ARG  11  -3.891   4.841  -5.798
    3    HB2  ARG  11           HB2      ARG  11  -4.155   1.914  -6.271
    4    HB3  ARG  11           HB3      ARG  11  -4.580   2.992  -7.594
    5    HG2  ARG  11           HG2      ARG  11  -2.007   3.500  -6.228
    6    HG3  ARG  11           HG3      ARG  11  -2.119   2.050  -7.227
    7    HD2  ARG  11           HD2      ARG  11  -2.400   3.239  -9.165
    8    HD3  ARG  11           HD3      ARG  11  -3.124   4.619  -8.340
    9    HE   ARG  11           HE       ARG  11  -0.475   4.459  -7.515
   10   HH11  ARG  11          HH11      ARG  11  -2.246   5.029 -10.468
   11   HH12  ARG  11          HH12      ARG  11  -1.014   6.028 -11.162
   12   HH21  ARG  11          HH21      ARG  11   1.147   5.773  -8.426
   13   HH22  ARG  11          HH22      ARG  11   0.913   6.450 -10.003

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  12           H        GLN  12  -5.423   5.821  -7.104
    2    HA   GLN  12           HA       GLN  12  -7.474   6.570  -7.753
    3    HB2  GLN  12           HB2      GLN  12  -7.865   3.671  -7.395
    4    HB3  GLN  12           HB3      GLN  12  -9.333   4.636  -7.369
    5    HG2  GLN  12           HG2      GLN  12  -7.341   5.010  -9.559
    6    HG3  GLN  12           HG3      GLN  12  -8.465   3.653  -9.605
    7   HE21  GLN  12          HE21      GLN  12  -9.131   4.785 -11.597
    8   HE22  GLN  12          HE22      GLN  12 -10.330   6.022 -11.468

  No H/Q in entry =           8
  In of MODEL   36
    1    H    CYS  13           H        CYS  13  -6.576   6.328  -4.789
    2    HA   CYS  13           HA       CYS  13  -7.311   7.212  -2.825
    3    HB2  CYS  13           HB2      CYS  13  -9.931   7.794  -4.216
    4    HB3  CYS  13           HB3      CYS  13  -9.321   8.533  -2.740

  No H/Q in entry =           4
  In of MODEL   36
    1    H    LYS  14           H        LYS  14  -7.363   4.531  -3.071
    2    HA   LYS  14           HA       LYS  14  -9.473   3.811  -1.238
    3    HB2  LYS  14           HB2      LYS  14  -9.437   2.886  -4.067
    4    HB3  LYS  14           HB3      LYS  14  -9.854   1.705  -2.834
    5    HG2  LYS  14           HG2      LYS  14 -11.583   3.352  -2.017
    6    HG3  LYS  14           HG3      LYS  14 -11.267   4.272  -3.489
    7    HD2  LYS  14           HD2      LYS  14 -11.689   2.005  -4.686
    8    HD3  LYS  14           HD3      LYS  14 -12.484   1.556  -3.176
    9    HE2  LYS  14           HE2      LYS  14 -14.190   3.050  -3.469
   10    HE3  LYS  14           HE3      LYS  14 -13.197   4.163  -4.410
   11    HZ3  LYS  14           HZ1      LYS  14 -13.545   2.991  -6.333
   12    HZ2  LYS  14           HZ2      LYS  14 -15.034   2.765  -5.563
   13    HZ1  LYS  14           HZ3      LYS  14 -13.874   1.534  -5.537

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  15           H        LEU  15  -8.619   2.528   0.261
    2    HA   LEU  15           HA       LEU  15  -6.005   1.731   0.391
    3    HB2  LEU  15           HB2      LEU  15  -8.500   0.847   1.728
    4    HB3  LEU  15           HB3      LEU  15  -7.105  -0.203   1.889
    5    HG   LEU  15           HG       LEU  15  -7.368   1.392   3.770
    6   HD12  LEU  15          HD11      LEU  15  -4.998   2.279   3.643
    7   HD11  LEU  15          HD12      LEU  15  -4.915   1.543   2.043
    8   HD13  LEU  15          HD13      LEU  15  -5.198   0.536   3.463
    9   HD22  LEU  15          HD21      LEU  15  -8.293   3.283   2.588
   10   HD21  LEU  15          HD22      LEU  15  -6.819   3.448   1.634
   11   HD23  LEU  15          HD23      LEU  15  -6.785   3.759   3.370

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  16           H        LYS  16  -4.807   0.338  -0.711
    2    HA   LYS  16           HA       LYS  16  -5.657  -1.240  -2.789
    3    HB2  LYS  16           HB2      LYS  16  -3.228  -0.670  -1.630
    4    HB3  LYS  16           HB3      LYS  16  -3.377  -2.401  -1.358
    5    HG2  LYS  16           HG2      LYS  16  -3.123  -2.901  -3.535
    6    HG3  LYS  16           HG3      LYS  16  -4.036  -1.491  -4.075
    7    HD2  LYS  16           HD2      LYS  16  -1.374  -1.047  -2.826
    8    HD3  LYS  16           HD3      LYS  16  -1.426  -1.694  -4.467
    9    HE2  LYS  16           HE2      LYS  16  -3.106   0.253  -4.883
   10    HE3  LYS  16           HE3      LYS  16  -2.375   0.946  -3.436
   11    HZ1  LYS  16           HZ1      LYS  16  -0.185   0.362  -4.734
   12    HZ3  LYS  16           HZ2      LYS  16  -1.016   1.807  -5.022
   13    HZ2  LYS  16           HZ3      LYS  16  -1.203   0.499  -6.079

  No H/Q in entry =          13
  In of MODEL   36
    1    HA   PRO  17           HA       PRO  17  -7.745  -4.823  -1.321
    2    HB2  PRO  17           HB2      PRO  17  -5.843  -6.414  -2.970
    3    HB3  PRO  17           HB3      PRO  17  -7.610  -6.423  -2.966
    4    HG2  PRO  17           HG2      PRO  17  -6.259  -5.233  -4.929
    5    HG3  PRO  17           HG3      PRO  17  -7.756  -4.528  -4.291
    6    HD2  PRO  17           HD2      PRO  17  -4.925  -3.708  -3.830
    7    HD3  PRO  17           HD3      PRO  17  -6.384  -2.706  -3.966

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ALA  18           H        ALA  18  -7.424  -5.481   0.708
    2    HA   ALA  18           HA       ALA  18  -4.964  -5.831   1.971
    3    HB3  ALA  18           HB1      ALA  18  -6.515  -7.372   3.507
    4    HB2  ALA  18           HB2      ALA  18  -7.770  -6.534   2.594
    5    HB1  ALA  18           HB3      ALA  18  -6.594  -5.610   3.530

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  19           H        GLY  19  -3.438  -7.274   1.527
    2    HA3  GLY  19           HA2      GLY  19  -2.887  -9.674   1.798
    3    HA2  GLY  19           HA3      GLY  19  -4.284 -10.008   0.786

  No H/Q in entry =           3
  In of MODEL   36
    1    H    THR  20           H        THR  20  -2.476  -7.268  -0.163
    2    HA   THR  20           HA       THR  20  -1.205  -8.849  -2.301
    3    HB   THR  20           HB       THR  20  -3.016  -7.272  -3.015
    4    HG1  THR  20           HG1      THR  20  -0.592  -6.319  -4.058
    5   HG21  THR  20          HG21      THR  20  -1.079  -5.157  -2.113
    6   HG23  THR  20          HG22      THR  20  -2.705  -5.440  -1.491
    7   HG22  THR  20          HG23      THR  20  -2.480  -4.879  -3.148

  No H/Q in entry =           7
  In of MODEL   36
    1    H    THR  21           H        THR  21   0.707  -7.537  -3.292
    2    HA   THR  21           HA       THR  21   2.623  -7.210  -1.191
    3    HB   THR  21           HB       THR  21   3.170  -8.203  -3.406
    4    HG1  THR  21           HG1      THR  21   4.684  -5.864  -2.907
    5   HG22  THR  21          HG21      THR  21   3.768  -5.874  -4.873
    6   HG21  THR  21          HG22      THR  21   2.068  -5.789  -4.411
    7   HG23  THR  21          HG23      THR  21   2.672  -7.188  -5.298

  No H/Q in entry =           7
  In of MODEL   36
    1    H    CYS  22           H        CYS  22   4.084  -5.283  -1.101
    2    HA   CYS  22           HA       CYS  22   2.544  -2.802  -1.504
    3    HB2  CYS  22           HB2      CYS  22   3.433  -3.886   0.909
    4    HB3  CYS  22           HB3      CYS  22   4.586  -2.604   0.554

  No H/Q in entry =           4
  In of MODEL   36
    1    H    TRP  23           H        TRP  23   3.507  -2.416  -3.528
    2    HA   TRP  23           HA       TRP  23   5.040  -1.544  -4.965
    3    HB2  TRP  23           HB2      TRP  23   5.117   0.077  -2.889
    4    HB3  TRP  23           HB3      TRP  23   6.726  -0.605  -2.679
    5    HD1  TRP  23           HD1      TRP  23   5.156   0.213  -6.104
    6    HE1  TRP  23           HE1      TRP  23   6.606   2.007  -7.245
    7    HE3  TRP  23           HE3      TRP  23   8.407   1.185  -2.279
    8    HZ2  TRP  23           HZ2      TRP  23   8.833   3.621  -6.609
    9    HZ3  TRP  23           HZ3      TRP  23  10.168   2.868  -2.627
   10    HH2  TRP  23           HH2      TRP  23  10.376   4.059  -4.749

  No H/Q in entry =          10
  In of MODEL   36
    1    H    ARG  24           H        ARG  24   7.507  -1.482  -5.453
    2    HA   ARG  24           HA       ARG  24   9.092  -3.544  -4.240
    3    HB2  ARG  24           HB2      ARG  24   7.531  -4.093  -6.676
    4    HB3  ARG  24           HB3      ARG  24   9.234  -4.517  -6.789
    5    HG2  ARG  24           HG2      ARG  24   7.923  -5.398  -4.321
    6    HG3  ARG  24           HG3      ARG  24   7.291  -6.129  -5.797
    7    HD2  ARG  24           HD2      ARG  24  10.231  -5.986  -5.558
    8    HD3  ARG  24           HD3      ARG  24   9.412  -7.086  -4.450
    9    HE   ARG  24           HE       ARG  24   9.725  -7.397  -7.290
   10   HH11  ARG  24          HH11      ARG  24   7.805  -8.275  -4.511
   11   HH12  ARG  24          HH12      ARG  24   7.210  -9.734  -5.228
   12   HH21  ARG  24          HH21      ARG  24   8.942  -9.316  -8.234
   13   HH22  ARG  24          HH22      ARG  24   7.855 -10.326  -7.341

  No H/Q in entry =          13
  In of MODEL   36
    1    H    THR  25           H        THR  25  10.952  -2.471  -4.118
    2    HA   THR  25           HA       THR  25  11.933  -1.109  -6.541
    3    HB   THR  25           HB       THR  25  13.280   0.215  -4.652
    4    HG1  THR  25           HG1      THR  25  12.097  -1.050  -3.021
    5   HG21  THR  25          HG21      THR  25  11.634   1.107  -6.385
    6   HG23  THR  25          HG22      THR  25  11.853   2.032  -4.900
    7   HG22  THR  25          HG23      THR  25  10.431   1.008  -5.100

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  26           H        SER  26  12.361  -3.868  -5.663
    2    HA   SER  26           HA       SER  26  14.035  -5.397  -5.492
    3    HB2  SER  26           HB2      SER  26  16.089  -3.378  -6.280
    4    HB3  SER  26           HB3      SER  26  15.876  -5.039  -6.833
    5    HG   SER  26           HG       SER  26  14.346  -4.399  -8.228

  No H/Q in entry =           5
  In of MODEL   36
    1    H    VAL  27           H        VAL  27  13.486  -3.452  -3.241
    2    HA   VAL  27           HA       VAL  27  15.349  -4.448  -1.404
    3    HB   VAL  27           HB       VAL  27  16.912  -2.923  -2.563
    4   HG13  VAL  27          HG11      VAL  27  16.610  -0.655  -2.776
    5   HG12  VAL  27          HG12      VAL  27  15.476  -0.569  -1.428
    6   HG11  VAL  27          HG13      VAL  27  14.957  -1.235  -2.977
    7   HG22  VAL  27          HG21      VAL  27  17.987  -2.393  -0.644
    8   HG21  VAL  27          HG22      VAL  27  16.704  -3.367   0.075
    9   HG23  VAL  27          HG23      VAL  27  16.573  -1.608   0.060

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  28           H        SER  28  12.538  -4.049  -1.625
    2    HA   SER  28           HA       SER  28  11.877  -3.259   0.950
    3    HB2  SER  28           HB2      SER  28  11.903  -1.045  -1.031
    4    HB3  SER  28           HB3      SER  28  10.509  -1.124   0.046
    5    HG   SER  28           HG       SER  28  12.010  -1.162   1.803

  No H/Q in entry =           5
  In of MODEL   36
    1    H    SER  29           H        SER  29  10.892  -5.341   0.231
    2    HA   SER  29           HA       SER  29   8.370  -4.930  -1.225
    3    HB2  SER  29           HB2      SER  29   8.417  -7.190  -1.865
    4    HB3  SER  29           HB3      SER  29  10.106  -6.694  -1.972
    5    HG   SER  29           HG       SER  29  10.144  -8.563  -0.844

  No H/Q in entry =           5
  In of MODEL   36
    1    H    HIS  30           H        HIS  30   6.508  -5.013  -0.164
    2    HA   HIS  30           HA       HIS  30   6.346  -6.494   2.358
    3    HB2  HIS  30           HB2      HIS  30   5.200  -3.714   2.090
    4    HB3  HIS  30           HB3      HIS  30   5.347  -4.687   3.549
    5    HD1  HIS  30           HD1      HIS  30   7.697  -4.815   4.655
    6    HD2  HIS  30           HD2      HIS  30   7.484  -2.298   1.355
    7    HE1  HIS  30           HE1      HIS  30   9.804  -3.444   4.718
    8    HE2  HIS  30           HE2      HIS  30   9.613  -1.869   2.761

  No H/Q in entry =           8
  In of MODEL   36
    1    H    TYR  31           H        TYR  31   3.723  -5.699   3.016
    2    HA   TYR  31           HA       TYR  31   2.146  -6.447   0.661
    3    HB2  TYR  31           HB2      TYR  31   2.196  -7.863   3.316
    4    HB3  TYR  31           HB3      TYR  31   0.795  -7.952   2.254
    5    HD1  TYR  31           HD1      TYR  31   0.930  -9.126   0.112
    6    HD2  TYR  31           HD2      TYR  31   4.256  -8.996   2.762
    7    HE1  TYR  31           HE1      TYR  31   1.988 -10.961  -1.136
    8    HE2  TYR  31           HE2      TYR  31   5.324 -10.830   1.520
    9    HH   TYR  31           HH       TYR  31   3.924 -12.869  -0.316

  No H/Q in entry =           9
  In of MODEL   36
    1    H    CYS  32           H        CYS  32   0.043  -5.676   0.620
    2    HA   CYS  32           HA       CYS  32  -0.472  -3.444   2.394
    3    HB2  CYS  32           HB2      CYS  32  -1.601  -4.422  -0.190
    4    HB3  CYS  32           HB3      CYS  32  -2.595  -3.373   0.813

  No H/Q in entry =           4
  In of MODEL   36
    1    H    THR  33           H        THR  33  -1.764  -3.519   4.108
    2    HA   THR  33           HA       THR  33  -3.292  -5.947   4.614
    3    HB   THR  33           HB       THR  33  -3.424  -5.239   6.879
    4    HG1  THR  33           HG1      THR  33  -2.649  -2.698   5.905
    5   HG21  THR  33          HG21      THR  33  -1.022  -5.671   5.779
    6   HG23  THR  33          HG22      THR  33  -1.268  -5.344   7.494
    7   HG22  THR  33          HG23      THR  33  -0.780  -4.042   6.409

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY  34           H        GLY  34  -4.007  -3.554   2.743
    2    HA3  GLY  34           HA2      GLY  34  -5.884  -2.351   2.167
    3    HA2  GLY  34           HA3      GLY  34  -6.733  -3.780   2.735

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ARG  35           H        ARG  35  -4.849  -1.387   4.567
    2    HA   ARG  35           HA       ARG  35  -7.316  -0.472   5.849
    3    HB2  ARG  35           HB2      ARG  35  -5.852  -2.348   7.096
    4    HB3  ARG  35           HB3      ARG  35  -5.004  -0.911   7.651
    5    HG2  ARG  35           HG2      ARG  35  -6.554  -1.151   9.307
    6    HG3  ARG  35           HG3      ARG  35  -7.424  -0.077   8.211
    7    HD2  ARG  35           HD2      ARG  35  -8.300  -2.300   7.174
    8    HD3  ARG  35           HD3      ARG  35  -7.820  -2.995   8.721
    9    HE   ARG  35           HE       ARG  35 -10.102  -1.371   8.212
   10   HH11  ARG  35          HH11      ARG  35  -7.713  -2.135  10.639
   11   HH12  ARG  35          HH12      ARG  35  -8.740  -1.704  11.965
   12   HH21  ARG  35          HH21      ARG  35 -11.454  -0.803   9.955
   13   HH22  ARG  35          HH22      ARG  35 -10.864  -0.948  11.577

  No H/Q in entry =          13
  In of MODEL   36
    1    H    SER  36           H        SER  36  -3.812  -0.034   5.582
    2    HA   SER  36           HA       SER  36  -4.262   2.872   5.597
    3    HB2  SER  36           HB2      SER  36  -2.337   1.275   7.245
    4    HB3  SER  36           HB3      SER  36  -1.890   2.903   6.734
    5    HG   SER  36           HG       SER  36  -3.881   3.614   7.698

  No H/Q in entry =           5
  In of MODEL   36
    1    H    CYS  37           H        CYS  37  -2.855   4.104   4.327
    2    HA   CYS  37           HA       CYS  37  -1.851   2.774   2.012
    3    HB2  CYS  37           HB2      CYS  37  -1.385   5.648   2.818
    4    HB3  CYS  37           HB3      CYS  37  -1.300   4.968   1.197

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLU  38           H        GLU  38  -0.490   3.665   5.038
    2    HA   GLU  38           HA       GLU  38   2.234   3.808   4.142
    3    HB2  GLU  38           HB2      GLU  38   1.047   3.538   6.908
    4    HB3  GLU  38           HB3      GLU  38   2.759   3.770   6.582
    5    HG2  GLU  38           HG2      GLU  38   0.733   5.706   5.543
    6    HG3  GLU  38           HG3      GLU  38   1.310   5.804   7.206

  No H/Q in entry =           6
  In of MODEL   36
    1    H    CYS  39           H        CYS  39   3.164   2.040   3.330
    2    HA   CYS  39           HA       CYS  39   2.421  -0.603   3.804
    3    HB2  CYS  39           HB2      CYS  39   5.048   0.563   2.877
    4    HB3  CYS  39           HB3      CYS  39   4.707  -1.164   2.892

  No H/Q in entry =           4
  In of MODEL   36
    1    HA   PRO  40           HA       PRO  40   3.816  -0.889   8.103
    2    HB2  PRO  40           HB2      PRO  40   3.262  -3.752   7.484
    3    HB3  PRO  40           HB3      PRO  40   2.751  -2.780   8.869
    4    HG2  PRO  40           HG2      PRO  40   1.031  -3.382   6.930
    5    HG3  PRO  40           HG3      PRO  40   1.015  -1.782   7.696
    6    HD2  PRO  40           HD2      PRO  40   2.064  -2.596   5.023
    7    HD3  PRO  40           HD3      PRO  40   1.260  -1.091   5.510

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  41           H        SER  41   5.347  -2.517   9.221
    2    HA   SER  41           HA       SER  41   7.680  -2.839   7.478
    3    HB2  SER  41           HB2      SER  41   7.537  -1.632   9.881
    4    HB3  SER  41           HB3      SER  41   7.930  -3.269  10.405
    5    HG   SER  41           HG       SER  41   9.403  -1.572   8.688

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  42           H        TYR  42   5.465  -4.720   7.429
    2    HA   TYR  42           HA       TYR  42   6.739  -7.120   8.558
    3    HB2  TYR  42           HB2      TYR  42   3.908  -6.358   8.033
    4    HB3  TYR  42           HB3      TYR  42   4.341  -8.055   7.862
    5    HD1  TYR  42           HD1      TYR  42   2.683  -6.182   9.995
    6    HD2  TYR  42           HD2      TYR  42   6.280  -8.456  10.004
    7    HE1  TYR  42           HE1      TYR  42   2.489  -6.469  12.430
    8    HE2  TYR  42           HE2      TYR  42   6.095  -8.750  12.438
    9    HH   TYR  42           HH       TYR  42   4.437  -8.681  14.182

  No H/Q in entry =           9
  In of MODEL   36
    1    HA   PRO  43           HA       PRO  43   7.487  -7.429   3.998
    2    HB2  PRO  43           HB2      PRO  43   9.951  -8.544   4.228
    3    HB3  PRO  43           HB3      PRO  43   9.681  -6.798   4.267
    4    HG2  PRO  43           HG2      PRO  43  10.084  -8.704   6.541
    5    HG3  PRO  43           HG3      PRO  43  10.774  -7.088   6.300
    6    HD2  PRO  43           HD2      PRO  43   8.657  -7.539   7.926
    7    HD3  PRO  43           HD3      PRO  43   8.860  -6.025   7.022

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY  44           H        GLY  44   8.207  -9.432   2.748
    2    HA3  GLY  44           HA2      GLY  44   6.819 -11.728   3.906
    3    HA2  GLY  44           HA3      GLY  44   7.264 -11.526   2.218

  No H/Q in entry =           3
  In of MODEL   37
    1    H1   ALA   1           H1       ALA   1 -13.849  11.189   8.488
    2    H2   ALA   1           H3       ALA   1 -14.912  12.360   9.147
    3    H3   ALA   1           H2       ALA   1 -15.546  10.988   8.334
    4    HA   ALA   1           HA       ALA   1 -15.744  12.724   6.861
    5    HB1  ALA   1           HB1      ALA   1 -13.086  13.489   7.941
    6    HB3  ALA   1           HB2      ALA   1 -14.497  14.487   7.589
    7    HB2  ALA   1           HB3      ALA   1 -13.463  13.928   6.275

  No H/Q in entry =           7
  In of MODEL   37
    1    H    MET   2           H        MET   2 -14.827  12.873   4.609
    2    HA   MET   2           HA       MET   2 -13.747  10.247   3.869
    3    HB2  MET   2           HB2      MET   2 -14.626  10.740   1.616
    4    HB3  MET   2           HB3      MET   2 -15.881  10.798   2.846
    5    HG2  MET   2           HG2      MET   2 -14.544  13.349   2.204
    6    HG3  MET   2           HG3      MET   2 -15.582  12.660   0.958
    7    HE2  MET   2           HE1      MET   2 -17.673  15.458   2.256
    8    HE1  MET   2           HE2      MET   2 -16.027  15.214   1.672
    9    HE3  MET   2           HE3      MET   2 -16.313  15.593   3.371

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP   3           H        ASP   3 -11.903  10.018   2.686
    2    HA   ASP   3           HA       ASP   3 -10.565  12.357   1.600
    3    HB2  ASP   3           HB2      ASP   3  -9.904  11.985   4.085
    4    HB3  ASP   3           HB3      ASP   3  -8.991  10.610   3.472

  No H/Q in entry =           4
  In of MODEL   37
    1    H    CYS   4           H        CYS   4  -8.491  11.698   0.473
    2    HA   CYS   4           HA       CYS   4  -9.034   9.271  -1.043
    3    HB2  CYS   4           HB2      CYS   4  -7.291  11.676  -1.470
    4    HB3  CYS   4           HB3      CYS   4  -7.003  10.204  -2.392

  No H/Q in entry =           4
  In of MODEL   37
    1    H    THR   5           H        THR   5  -6.699  10.566   1.209
    2    HA   THR   5           HA       THR   5  -4.947   9.630   2.316
    3    HB   THR   5           HB       THR   5  -5.663   6.864   1.511
    4    HG1  THR   5           HG1      THR   5  -7.654   6.984   2.117
    5   HG22  THR   5          HG21      THR   5  -5.274   8.146   4.205
    6   HG21  THR   5          HG22      THR   5  -4.051   7.255   3.299
    7   HG23  THR   5          HG23      THR   5  -5.492   6.425   3.888

  No H/Q in entry =           7
  In of MODEL   37
    1    H    THR   6           H        THR   6  -3.932  10.635   0.255
    2    HA   THR   6           HA       THR   6  -2.979   9.115  -1.858
    3    HB   THR   6           HB       THR   6  -0.975  10.872  -1.622
    4    HG1  THR   6           HG1      THR   6  -1.281  12.200  -0.051
    5   HG22  THR   6          HG21      THR   6  -3.331  12.401  -2.264
    6   HG21  THR   6          HG22      THR   6  -3.357  10.815  -3.036
    7   HG23  THR   6          HG23      THR   6  -1.991  11.900  -3.296

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY   7           H        GLY   7  -1.163   7.898  -2.238
    2    HA3  GLY   7           HA2      GLY   7   1.127   7.631  -0.771
    3    HA2  GLY   7           HA3      GLY   7  -0.022   6.582   0.045

  No H/Q in entry =           3
  In of MODEL   37
    1    HA   PRO   8           HA       PRO   8   2.053   4.361  -3.575
    2    HB2  PRO   8           HB2      PRO   8   3.222   2.385  -2.120
    3    HB3  PRO   8           HB3      PRO   8   4.023   3.919  -2.478
    4    HG2  PRO   8           HG2      PRO   8   2.597   3.063   0.011
    5    HG3  PRO   8           HG3      PRO   8   4.132   3.935  -0.155
    6    HD2  PRO   8           HD2      PRO   8   1.808   5.188   0.433
    7    HD3  PRO   8           HD3      PRO   8   3.086   5.957  -0.530

  No H/Q in entry =           7
  In of MODEL   37
    1    H    CYS   9           H        CYS   9   0.260   3.344  -0.737
    2    HA   CYS   9           HA       CYS   9  -0.791   1.020  -2.184
    3    HB2  CYS   9           HB2      CYS   9   0.098   0.715   0.133
    4    HB3  CYS   9           HB3      CYS   9  -1.183   1.770   0.720

  No H/Q in entry =           4
  In of MODEL   37
    1    H    CYS  10           H        CYS  10  -1.618   3.538  -3.083
    2    HA   CYS  10           HA       CYS  10  -4.485   3.331  -2.568
    3    HB2  CYS  10           HB2      CYS  10  -3.044   5.279  -1.295
    4    HB3  CYS  10           HB3      CYS  10  -3.553   6.114  -2.757

  No H/Q in entry =           4
  In of MODEL   37
    1    H    ARG  11           H        ARG  11  -5.321   2.961  -4.511
    2    HA   ARG  11           HA       ARG  11  -4.031   3.645  -6.941
    3    HB2  ARG  11           HB2      ARG  11  -5.899   1.837  -6.323
    4    HB3  ARG  11           HB3      ARG  11  -6.958   3.107  -6.919
    5    HG2  ARG  11           HG2      ARG  11  -4.607   2.186  -8.525
    6    HG3  ARG  11           HG3      ARG  11  -6.139   1.311  -8.560
    7    HD2  ARG  11           HD2      ARG  11  -7.189   2.932  -9.731
    8    HD3  ARG  11           HD3      ARG  11  -6.326   4.230  -8.908
    9    HE   ARG  11           HE       ARG  11  -4.895   4.283 -10.672
   10   HH11  ARG  11          HH11      ARG  11  -6.323   1.102 -10.541
   11   HH12  ARG  11          HH12      ARG  11  -5.536   0.553 -11.983
   12   HH21  ARG  11          HH21      ARG  11  -3.860   3.564 -12.569
   13   HH22  ARG  11          HH22      ARG  11  -4.138   1.950 -13.135

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  12           H        GLN  12  -3.700   5.949  -6.471
    2    HA   GLN  12           HA       GLN  12  -4.115   8.122  -7.009
    3    HB2  GLN  12           HB2      GLN  12  -5.529   6.803  -8.884
    4    HB3  GLN  12           HB3      GLN  12  -6.840   7.632  -8.058
    5    HG2  GLN  12           HG2      GLN  12  -5.588   9.767  -8.385
    6    HG3  GLN  12           HG3      GLN  12  -4.446   8.872  -9.386
    7   HE21  GLN  12          HE21      GLN  12  -5.158  10.493 -10.979
    8   HE22  GLN  12          HE22      GLN  12  -6.561  10.147 -11.925

  No H/Q in entry =           8
  In of MODEL   37
    1    H    CYS  13           H        CYS  13  -7.315   6.792  -6.235
    2    HA   CYS  13           HA       CYS  13  -7.379   8.335  -3.769
    3    HB2  CYS  13           HB2      CYS  13  -9.042   8.912  -6.164
    4    HB3  CYS  13           HB3      CYS  13  -9.847   8.972  -4.600

  No H/Q in entry =           4
  In of MODEL   37
    1    H    LYS  14           H        LYS  14  -7.324   5.490  -4.526
    2    HA   LYS  14           HA       LYS  14  -9.669   4.665  -2.987
    3    HB2  LYS  14           HB2      LYS  14  -8.961   3.752  -5.748
    4    HB3  LYS  14           HB3      LYS  14  -9.722   2.622  -4.638
    5    HG2  LYS  14           HG2      LYS  14 -11.478   4.489  -4.310
    6    HG3  LYS  14           HG3      LYS  14 -10.821   5.139  -5.814
    7    HD2  LYS  14           HD2      LYS  14 -11.866   2.330  -5.463
    8    HD3  LYS  14           HD3      LYS  14 -12.787   3.667  -6.157
    9    HE2  LYS  14           HE2      LYS  14 -11.978   2.875  -8.104
   10    HE3  LYS  14           HE3      LYS  14 -10.544   3.795  -7.651
   11    HZ1  LYS  14           HZ1      LYS  14  -9.966   1.560  -6.434
   12    HZ3  LYS  14           HZ2      LYS  14  -9.616   1.778  -8.074
   13    HZ2  LYS  14           HZ3      LYS  14 -10.987   0.903  -7.612

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  15           H        LEU  15  -9.352   2.866  -1.707
    2    HA   LEU  15           HA       LEU  15  -6.746   2.321  -0.850
    3    HB2  LEU  15           HB2      LEU  15  -9.080   1.924   0.275
    4    HB3  LEU  15           HB3      LEU  15  -8.943   0.335  -0.454
    5    HG   LEU  15           HG       LEU  15  -8.186   0.283   1.853
    6   HD13  LEU  15          HD11      LEU  15  -6.153  -0.866   1.531
    7   HD12  LEU  15          HD12      LEU  15  -5.758   0.077   0.094
    8   HD11  LEU  15          HD13      LEU  15  -7.076  -1.095   0.045
    9   HD21  LEU  15          HD21      LEU  15  -7.313   2.798   1.492
   10   HD23  LEU  15          HD22      LEU  15  -5.791   1.922   1.324
   11   HD22  LEU  15          HD23      LEU  15  -6.749   1.750   2.794

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  16           H        LYS  16  -5.204   1.314  -1.939
    2    HA   LYS  16           HA       LYS  16  -5.567  -0.250  -4.216
    3    HB2  LYS  16           HB2      LYS  16  -3.440   0.826  -3.656
    4    HB3  LYS  16           HB3      LYS  16  -3.247  -0.248  -2.277
    5    HG2  LYS  16           HG2      LYS  16  -2.046  -1.525  -3.645
    6    HG3  LYS  16           HG3      LYS  16  -3.589  -2.003  -4.356
    7    HD2  LYS  16           HD2      LYS  16  -2.176   0.459  -5.310
    8    HD3  LYS  16           HD3      LYS  16  -1.692  -1.133  -5.898
    9    HE2  LYS  16           HE2      LYS  16  -4.583  -0.453  -5.937
   10    HE3  LYS  16           HE3      LYS  16  -3.539   0.326  -7.125
   11    HZ1  LYS  16           HZ1      LYS  16  -3.511  -2.603  -6.725
   12    HZ3  LYS  16           HZ2      LYS  16  -2.956  -1.717  -8.054
   13    HZ2  LYS  16           HZ3      LYS  16  -4.617  -1.864  -7.772

  No H/Q in entry =          13
  In of MODEL   37
    1    HA   PRO  17           HA       PRO  17  -7.171  -4.106  -2.694
    2    HB2  PRO  17           HB2      PRO  17  -5.461  -5.221  -4.871
    3    HB3  PRO  17           HB3      PRO  17  -7.166  -5.522  -4.514
    4    HG2  PRO  17           HG2      PRO  17  -6.469  -3.938  -6.533
    5    HG3  PRO  17           HG3      PRO  17  -7.860  -3.542  -5.506
    6    HD2  PRO  17           HD2      PRO  17  -5.133  -2.337  -5.555
    7    HD3  PRO  17           HD3      PRO  17  -6.701  -1.572  -5.228

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ALA  18           H        ALA  18  -6.505  -5.598  -1.243
    2    HA   ALA  18           HA       ALA  18  -3.994  -5.442  -0.045
    3    HB3  ALA  18           HB1      ALA  18  -5.782  -7.861   0.057
    4    HB1  ALA  18           HB2      ALA  18  -6.106  -6.379   0.955
    5    HB2  ALA  18           HB3      ALA  18  -4.639  -7.303   1.278

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  19           H        GLY  19  -2.179  -6.797  -0.068
    2    HA3  GLY  19           HA2      GLY  19  -0.883  -8.614  -0.862
    3    HA2  GLY  19           HA3      GLY  19  -2.034  -8.829  -2.173

  No H/Q in entry =           3
  In of MODEL   37
    1    H    THR  20           H        THR  20  -1.958  -5.861  -2.681
    2    HA   THR  20           HA       THR  20   0.066  -5.909  -4.670
    3    HB   THR  20           HB       THR  20  -1.521  -3.566  -3.601
    4    HG1  THR  20           HG1      THR  20  -3.102  -4.342  -4.711
    5   HG23  THR  20          HG21      THR  20  -0.126  -2.385  -4.893
    6   HG22  THR  20          HG22      THR  20  -1.116  -3.022  -6.206
    7   HG21  THR  20          HG23      THR  20   0.411  -3.802  -5.795

  No H/Q in entry =           7
  In of MODEL   37
    1    H    THR  21           H        THR  21   2.160  -5.853  -4.177
    2    HA   THR  21           HA       THR  21   3.144  -4.566  -1.807
    3    HB   THR  21           HB       THR  21   5.228  -5.213  -3.695
    4    HG1  THR  21           HG1      THR  21   3.943  -6.673  -4.673
    5   HG22  THR  21          HG21      THR  21   5.778  -6.944  -1.973
    6   HG21  THR  21          HG22      THR  21   4.370  -6.386  -1.069
    7   HG23  THR  21          HG23      THR  21   5.710  -5.284  -1.384

  No H/Q in entry =           7
  In of MODEL   37
    1    H    CYS  22           H        CYS  22   4.053  -2.605  -1.592
    2    HA   CYS  22           HA       CYS  22   3.809  -0.742  -3.774
    3    HB2  CYS  22           HB2      CYS  22   4.581   0.928  -2.120
    4    HB3  CYS  22           HB3      CYS  22   3.224  -0.023  -1.526

  No H/Q in entry =           4
  In of MODEL   37
    1    H    TRP  23           H        TRP  23   6.443  -2.234  -1.949
    2    HA   TRP  23           HA       TRP  23   8.437  -0.868  -3.564
    3    HB2  TRP  23           HB2      TRP  23   8.447  -1.679  -0.960
    4    HB3  TRP  23           HB3      TRP  23   9.332  -2.992  -1.731
    5    HD1  TRP  23           HD1      TRP  23   9.626   0.656  -2.902
    6    HE1  TRP  23           HE1      TRP  23  12.045   1.443  -2.506
    7    HE3  TRP  23           HE3      TRP  23  11.399  -3.410  -0.359
    8    HZ2  TRP  23           HZ2      TRP  23  14.393   0.469  -1.279
    9    HZ3  TRP  23           HZ3      TRP  23  13.743  -3.403   0.390
   10    HH2  TRP  23           HH2      TRP  23  15.208  -1.502  -0.062

  No H/Q in entry =          10
  In of MODEL   37
    1    H    ARG  24           H        ARG  24   8.085  -4.266  -2.605
    2    HA   ARG  24           HA       ARG  24   8.424  -6.216  -3.728
    3    HB2  ARG  24           HB2      ARG  24   6.654  -4.888  -5.212
    4    HB3  ARG  24           HB3      ARG  24   7.976  -4.919  -6.371
    5    HG2  ARG  24           HG2      ARG  24   7.121  -7.440  -5.021
    6    HG3  ARG  24           HG3      ARG  24   6.199  -6.806  -6.385
    7    HD2  ARG  24           HD2      ARG  24   7.839  -7.263  -7.880
    8    HD3  ARG  24           HD3      ARG  24   9.130  -6.934  -6.726
    9    HE   ARG  24           HE       ARG  24   7.693  -9.320  -6.095
   10   HH11  ARG  24          HH11      ARG  24  10.210  -8.008  -8.126
   11   HH12  ARG  24          HH12      ARG  24  11.014  -9.528  -8.325
   12   HH21  ARG  24          HH21      ARG  24   8.750 -11.320  -6.355
   13   HH22  ARG  24          HH22      ARG  24  10.186 -11.409  -7.320

  No H/Q in entry =          13
  In of MODEL   37
    1    H    THR  25           H        THR  25  10.685  -6.058  -3.176
    2    HA   THR  25           HA       THR  25  12.430  -5.292  -5.410
    3    HB   THR  25           HB       THR  25  14.218  -5.614  -3.512
    4    HG1  THR  25           HG1      THR  25  13.307  -5.081  -1.473
    5   HG21  THR  25          HG21      THR  25  13.525  -3.442  -4.587
    6   HG23  THR  25          HG22      THR  25  14.129  -3.339  -2.934
    7   HG22  THR  25          HG23      THR  25  12.396  -3.247  -3.247

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  26           H        SER  26  12.923  -7.597  -2.774
    2    HA   SER  26           HA       SER  26  12.675  -9.947  -4.276
    3    HB2  SER  26           HB2      SER  26  15.236 -10.447  -4.292
    4    HB3  SER  26           HB3      SER  26  14.544  -9.472  -5.588
    5    HG   SER  26           HG       SER  26  15.577  -7.766  -4.871

  No H/Q in entry =           5
  In of MODEL   37
    1    H    VAL  27           H        VAL  27  14.415  -8.318  -1.684
    2    HA   VAL  27           HA       VAL  27  14.528 -10.759  -0.105
    3    HB   VAL  27           HB       VAL  27  16.468  -9.253  -0.086
    4   HG12  VAL  27          HG11      VAL  27  16.323  -7.090   1.095
    5   HG11  VAL  27          HG12      VAL  27  14.572  -7.283   1.186
    6   HG13  VAL  27          HG13      VAL  27  15.362  -7.127  -0.383
    7   HG23  VAL  27          HG21      VAL  27  15.510  -8.945   2.682
    8   HG22  VAL  27          HG22      VAL  27  16.964  -9.727   2.062
    9   HG21  VAL  27          HG23      VAL  27  15.419 -10.576   2.018

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  28           H        SER  28  12.741  -7.761  -0.271
    2    HA   SER  28           HA       SER  28  11.090  -8.678   1.991
    3    HB2  SER  28           HB2      SER  28  10.827  -6.479   2.779
    4    HB3  SER  28           HB3      SER  28  12.534  -6.563   2.343
    5    HG   SER  28           HG       SER  28  11.781  -5.686   0.238

  No H/Q in entry =           5
  In of MODEL   37
    1    H    SER  29           H        SER  29   8.872  -7.487   1.920
    2    HA   SER  29           HA       SER  29   7.853  -6.817  -0.669
    3    HB2  SER  29           HB2      SER  29   6.659  -9.316   0.506
    4    HB3  SER  29           HB3      SER  29   6.518  -8.688  -1.136
    5    HG   SER  29           HG       SER  29   8.676 -10.027   0.077

  No H/Q in entry =           5
  In of MODEL   37
    1    H    HIS  30           H        HIS  30   6.952  -5.010   0.205
    2    HA   HIS  30           HA       HIS  30   5.287  -5.198   2.575
    3    HB2  HIS  30           HB2      HIS  30   5.905  -2.815   0.814
    4    HB3  HIS  30           HB3      HIS  30   5.089  -2.761   2.373
    5    HD1  HIS  30           HD1      HIS  30   6.597  -2.048   4.184
    6    HD2  HIS  30           HD2      HIS  30   8.634  -4.141   1.229
    7    HE1  HIS  30           HE1      HIS  30   9.001  -2.083   4.921
    8    HE2  HIS  30           HE2      HIS  30  10.199  -3.430   3.161

  No H/Q in entry =           8
  In of MODEL   37
    1    H    TYR  31           H        TYR  31   3.736  -6.658   1.536
    2    HA   TYR  31           HA       TYR  31   2.145  -5.838  -0.657
    3    HB2  TYR  31           HB2      TYR  31   1.422  -7.796   1.533
    4    HB3  TYR  31           HB3      TYR  31   0.687  -7.689  -0.064
    5    HD1  TYR  31           HD1      TYR  31   2.621  -7.741  -2.014
    6    HD2  TYR  31           HD2      TYR  31   2.847  -9.574   1.819
    7    HE1  TYR  31           HE1      TYR  31   4.272  -9.342  -2.884
    8    HE2  TYR  31           HE2      TYR  31   4.499 -11.180   0.960
    9    HH   TYR  31           HH       TYR  31   4.954 -12.004  -1.891

  No H/Q in entry =           9
  In of MODEL   37
    1    H    CYS  32           H        CYS  32  -0.094  -5.217  -0.640
    2    HA   CYS  32           HA       CYS  32  -0.647  -3.225   1.363
    3    HB2  CYS  32           HB2      CYS  32  -1.875  -4.056  -1.228
    4    HB3  CYS  32           HB3      CYS  32  -2.863  -3.142  -0.093

  No H/Q in entry =           4
  In of MODEL   37
    1    H    THR  33           H        THR  33  -2.335  -3.205   2.829
    2    HA   THR  33           HA       THR  33  -3.388  -5.845   3.513
    3    HB   THR  33           HB       THR  33  -3.761  -5.018   5.697
    4    HG1  THR  33           HG1      THR  33  -4.059  -2.956   6.165
    5   HG22  THR  33          HG21      THR  33  -1.495  -3.313   5.630
    6   HG21  THR  33          HG22      THR  33  -1.216  -4.665   4.533
    7   HG23  THR  33          HG23      THR  33  -1.621  -4.969   6.223

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY  34           H        GLY  34  -4.387  -3.665   1.453
    2    HA3  GLY  34           HA2      GLY  34  -6.413  -2.877   0.695
    3    HA2  GLY  34           HA3      GLY  34  -7.015  -4.420   1.280

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ARG  35           H        ARG  35  -5.650  -2.071   3.465
    2    HA   ARG  35           HA       ARG  35  -8.355  -1.364   4.378
    3    HB2  ARG  35           HB2      ARG  35  -5.997  -2.215   6.052
    4    HB3  ARG  35           HB3      ARG  35  -7.393  -1.385   6.724
    5    HG2  ARG  35           HG2      ARG  35  -8.731  -3.203   6.558
    6    HG3  ARG  35           HG3      ARG  35  -7.931  -3.796   5.101
    7    HD2  ARG  35           HD2      ARG  35  -6.116  -4.676   6.352
    8    HD3  ARG  35           HD3      ARG  35  -6.638  -3.846   7.817
    9    HE   ARG  35           HE       ARG  35  -7.578  -6.361   6.834
   10   HH11  ARG  35          HH11      ARG  35  -8.475  -3.547   8.692
   11   HH12  ARG  35          HH12      ARG  35  -9.685  -4.382   9.607
   12   HH21  ARG  35          HH21      ARG  35  -9.169  -7.461   8.036
   13   HH22  ARG  35          HH22      ARG  35 -10.079  -6.604   9.235

  No H/Q in entry =          13
  In of MODEL   37
    1    H    SER  36           H        SER  36  -4.925  -0.514   4.460
    2    HA   SER  36           HA       SER  36  -5.706   2.311   4.763
    3    HB2  SER  36           HB2      SER  36  -3.245   0.840   5.709
    4    HB3  SER  36           HB3      SER  36  -3.321   2.600   5.625
    5    HG   SER  36           HG       SER  36  -4.518   2.616   7.354

  No H/Q in entry =           5
  In of MODEL   37
    1    H    CYS  37           H        CYS  37  -4.112   3.860   3.771
    2    HA   CYS  37           HA       CYS  37  -3.271   2.823   1.150
    3    HB2  CYS  37           HB2      CYS  37  -4.342   5.476   2.041
    4    HB3  CYS  37           HB3      CYS  37  -3.333   5.383   0.603

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLU  38           H        GLU  38  -1.778   2.922   3.784
    2    HA   GLU  38           HA       GLU  38   0.599   4.320   2.754
    3    HB2  GLU  38           HB2      GLU  38  -0.314   4.159   5.633
    4    HB3  GLU  38           HB3      GLU  38   1.223   4.828   5.100
    5    HG2  GLU  38           HG2      GLU  38   0.151   6.627   3.987
    6    HG3  GLU  38           HG3      GLU  38  -1.436   5.887   4.187

  No H/Q in entry =           6
  In of MODEL   37
    1    H    CYS  39           H        CYS  39   1.990   2.790   2.163
    2    HA   CYS  39           HA       CYS  39   1.976   0.130   2.961
    3    HB2  CYS  39           HB2      CYS  39   3.385   1.612   1.132
    4    HB3  CYS  39           HB3      CYS  39   4.640   1.169   2.284

  No H/Q in entry =           4
  In of MODEL   37
    1    HA   PRO  40           HA       PRO  40   3.595  -0.093   7.056
    2    HB2  PRO  40           HB2      PRO  40   5.292  -2.307   6.010
    3    HB3  PRO  40           HB3      PRO  40   4.200  -2.286   7.400
    4    HG2  PRO  40           HG2      PRO  40   3.500  -3.516   5.146
    5    HG3  PRO  40           HG3      PRO  40   2.312  -2.596   6.088
    6    HD2  PRO  40           HD2      PRO  40   3.693  -1.865   3.545
    7    HD3  PRO  40           HD3      PRO  40   2.035  -1.513   4.072

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  41           H        SER  41   5.770  -0.275   8.214
    2    HA   SER  41           HA       SER  41   7.735   1.341   6.738
    3    HB2  SER  41           HB2      SER  41   8.522   2.115   8.927
    4    HB3  SER  41           HB3      SER  41   6.790   2.403   8.756
    5    HG   SER  41           HG       SER  41   6.982   1.482  10.716

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  42           H        TYR  42   7.288  -1.569   8.618
    2    HA   TYR  42           HA       TYR  42  10.142  -2.200   8.418
    3    HB2  TYR  42           HB2      TYR  42   9.468  -4.173   9.888
    4    HB3  TYR  42           HB3      TYR  42   9.347  -2.574  10.615
    5    HD1  TYR  42           HD1      TYR  42   7.206  -4.926   8.643
    6    HD2  TYR  42           HD2      TYR  42   7.448  -2.130  11.840
    7    HE1  TYR  42           HE1      TYR  42   4.850  -5.364   9.197
    8    HE2  TYR  42           HE2      TYR  42   5.094  -2.560  12.404
    9    HH   TYR  42           HH       TYR  42   3.449  -5.034  11.668

  No H/Q in entry =           9
  In of MODEL   37
    1    HA   PRO  43           HA       PRO  43   9.598  -5.090   5.137
    2    HB2  PRO  43           HB2      PRO  43  11.389  -7.028   5.773
    3    HB3  PRO  43           HB3      PRO  43  11.871  -5.433   5.185
    4    HG2  PRO  43           HG2      PRO  43  11.784  -6.471   7.992
    5    HG3  PRO  43           HG3      PRO  43  13.034  -5.495   7.199
    6    HD2  PRO  43           HD2      PRO  43  11.184  -4.421   8.858
    7    HD3  PRO  43           HD3      PRO  43  11.858  -3.532   7.477

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY  44           H        GLY  44   8.161  -6.646   4.676
    2    HA3  GLY  44           HA2      GLY  44   6.598  -7.880   6.646
    3    HA2  GLY  44           HA3      GLY  44   6.653  -8.353   4.954

  No H/Q in entry =           3
  In of MODEL   38
    1    H1   ALA   1           H2       ALA   1 -15.953  11.015   6.210
    2    H2   ALA   1           H1       ALA   1 -14.840  10.497   7.410
    3    H3   ALA   1           H3       ALA   1 -14.587  11.981   6.591
    4    HA   ALA   1           HA       ALA   1 -13.123  10.528   5.631
    5    HB2  ALA   1           HB1      ALA   1 -13.673   8.418   6.354
    6    HB1  ALA   1           HB2      ALA   1 -14.148   8.327   4.658
    7    HB3  ALA   1           HB3      ALA   1 -15.369   8.587   5.903

  No H/Q in entry =           7
  In of MODEL   38
    1    H    MET   2           H        MET   2 -13.015  12.024   4.017
    2    HA   MET   2           HA       MET   2 -14.427  11.398   1.579
    3    HB2  MET   2           HB2      MET   2 -15.181  13.802   1.297
    4    HB3  MET   2           HB3      MET   2 -16.087  12.842   2.458
    5    HG2  MET   2           HG2      MET   2 -15.046  13.906   4.292
    6    HG3  MET   2           HG3      MET   2 -13.837  14.662   3.255
    7    HE2  MET   2           HE1      MET   2 -16.270  16.416   5.424
    8    HE1  MET   2           HE2      MET   2 -16.815  14.770   5.104
    9    HE3  MET   2           HE3      MET   2 -17.796  16.140   4.584

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP   3           H        ASP   3 -11.698  11.330   2.407
    2    HA   ASP   3           HA       ASP   3 -10.576  13.304   0.535
    3    HB2  ASP   3           HB2      ASP   3  -9.649  12.580   3.292
    4    HB3  ASP   3           HB3      ASP   3  -8.474  13.093   2.085

  No H/Q in entry =           4
  In of MODEL   38
    1    H    CYS   4           H        CYS   4  -8.248  12.617  -0.083
    2    HA   CYS   4           HA       CYS   4  -8.347   9.758  -0.762
    3    HB2  CYS   4           HB2      CYS   4  -6.846  12.011  -2.113
    4    HB3  CYS   4           HB3      CYS   4  -6.841  10.329  -2.629

  No H/Q in entry =           4
  In of MODEL   38
    1    H    THR   5           H        THR   5  -7.168   8.588   0.608
    2    HA   THR   5           HA       THR   5  -4.949   9.625   2.064
    3    HB   THR   5           HB       THR   5  -4.627   7.041   2.481
    4    HG1  THR   5           HG1      THR   5  -6.197   6.634   0.708
    5   HG21  THR   5          HG21      THR   5  -6.296   9.012   3.684
    6   HG23  THR   5          HG22      THR   5  -5.487   7.630   4.424
    7   HG22  THR   5          HG23      THR   5  -7.103   7.445   3.740

  No H/Q in entry =           7
  In of MODEL   38
    1    H    THR   6           H        THR   6  -3.980  10.406  -0.086
    2    HA   THR   6           HA       THR   6  -2.832   8.808  -1.992
    3    HB   THR   6           HB       THR   6  -0.926  10.673  -1.838
    4    HG1  THR   6           HG1      THR   6  -1.748  11.422   0.201
    5   HG21  THR   6          HG21      THR   6  -3.381  10.461  -3.204
    6   HG23  THR   6          HG22      THR   6  -1.960  11.411  -3.639
    7   HG22  THR   6          HG23      THR   6  -3.229  12.126  -2.645

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY   7           H        GLY   7  -1.147   7.451  -2.143
    2    HA3  GLY   7           HA2      GLY   7   1.184   7.462  -0.628
    3    HA2  GLY   7           HA3      GLY   7   0.048   6.415   0.209

  No H/Q in entry =           3
  In of MODEL   38
    1    HA   PRO   8           HA       PRO   8   2.373   3.938  -3.015
    2    HB2  PRO   8           HB2      PRO   8   2.992   1.876  -1.347
    3    HB3  PRO   8           HB3      PRO   8   4.021   3.297  -1.554
    4    HG2  PRO   8           HG2      PRO   8   2.047   2.687   0.612
    5    HG3  PRO   8           HG3      PRO   8   3.676   3.376   0.745
    6    HD2  PRO   8           HD2      PRO   8   1.457   4.906   0.859
    7    HD3  PRO   8           HD3      PRO   8   2.968   5.488   0.132

  No H/Q in entry =           7
  In of MODEL   38
    1    H    CYS   9           H        CYS   9   0.230   2.775  -0.421
    2    HA   CYS   9           HA       CYS   9  -0.883   0.762  -2.216
    3    HB2  CYS   9           HB2      CYS   9  -0.304   0.160   0.127
    4    HB3  CYS   9           HB3      CYS   9  -1.519   1.300   0.693

  No H/Q in entry =           4
  In of MODEL   38
    1    H    CYS  10           H        CYS  10  -1.464   3.221  -3.158
    2    HA   CYS  10           HA       CYS  10  -4.361   3.335  -2.807
    3    HB2  CYS  10           HB2      CYS  10  -2.676   5.216  -1.601
    4    HB3  CYS  10           HB3      CYS  10  -3.286   6.021  -3.041

  No H/Q in entry =           4
  In of MODEL   38
    1    H    ARG  11           H        ARG  11  -5.202   3.131  -4.775
    2    HA   ARG  11           HA       ARG  11  -3.710   3.424  -7.147
    3    HB2  ARG  11           HB2      ARG  11  -6.552   2.893  -6.472
    4    HB3  ARG  11           HB3      ARG  11  -6.215   3.476  -8.097
    5    HG2  ARG  11           HG2      ARG  11  -4.960   1.051  -6.827
    6    HG3  ARG  11           HG3      ARG  11  -6.302   1.030  -7.973
    7    HD2  ARG  11           HD2      ARG  11  -4.757   2.298  -9.552
    8    HD3  ARG  11           HD3      ARG  11  -3.454   1.869  -8.444
    9    HE   ARG  11           HE       ARG  11  -5.015  -0.386  -9.285
   10   HH11  ARG  11          HH11      ARG  11  -2.347   1.700 -10.127
   11   HH12  ARG  11          HH12      ARG  11  -1.582   0.521 -11.139
   12   HH21  ARG  11          HH21      ARG  11  -4.010  -1.938 -10.615
   13   HH22  ARG  11          HH22      ARG  11  -2.526  -1.544 -11.416

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  12           H        GLN  12  -6.771   5.136  -6.870
    2    HA   GLN  12           HA       GLN  12  -5.376   7.602  -7.681
    3    HB2  GLN  12           HB2      GLN  12  -7.095   6.348  -9.249
    4    HB3  GLN  12           HB3      GLN  12  -8.279   7.181  -8.251
    5    HG2  GLN  12           HG2      GLN  12  -6.102   8.869  -9.261
    6    HG3  GLN  12           HG3      GLN  12  -7.166   8.197 -10.495
    7   HE21  GLN  12          HE21      GLN  12  -6.831  10.459  -7.944
    8   HE22  GLN  12          HE22      GLN  12  -8.392  11.187  -8.081

  No H/Q in entry =           8
  In of MODEL   38
    1    H    CYS  13           H        CYS  13  -7.623   6.132  -5.496
    2    HA   CYS  13           HA       CYS  13  -7.418   8.131  -3.561
    3    HB2  CYS  13           HB2      CYS  13  -8.767   9.432  -5.220
    4    HB3  CYS  13           HB3      CYS  13 -10.050   8.240  -5.049

  No H/Q in entry =           4
  In of MODEL   38
    1    H    LYS  14           H        LYS  14  -7.395   5.282  -3.761
    2    HA   LYS  14           HA       LYS  14  -9.208   4.678  -1.602
    3    HB2  LYS  14           HB2      LYS  14 -10.270   4.264  -4.043
    4    HB3  LYS  14           HB3      LYS  14  -9.439   2.730  -3.824
    5    HG2  LYS  14           HG2      LYS  14 -10.659   2.866  -1.462
    6    HG3  LYS  14           HG3      LYS  14 -11.786   3.839  -2.409
    7    HD2  LYS  14           HD2      LYS  14 -11.389   1.743  -4.081
    8    HD3  LYS  14           HD3      LYS  14 -11.223   0.952  -2.512
    9    HE2  LYS  14           HE2      LYS  14 -13.475   0.777  -2.738
   10    HE3  LYS  14           HE3      LYS  14 -13.412   2.382  -2.010
   11    HZ2  LYS  14           HZ1      LYS  14 -14.718   1.853  -4.254
   12    HZ1  LYS  14           HZ2      LYS  14 -13.218   2.278  -4.910
   13    HZ3  LYS  14           HZ3      LYS  14 -14.046   3.369  -3.918

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  15           H        LEU  15  -8.838   2.493  -0.725
    2    HA   LEU  15           HA       LEU  15  -6.052   1.942  -0.563
    3    HB2  LEU  15           HB2      LEU  15  -8.263   0.142   0.402
    4    HB3  LEU  15           HB3      LEU  15  -6.626   0.262   1.018
    5    HG   LEU  15           HG       LEU  15  -8.458   2.625   1.188
    6   HD12  LEU  15          HD11      LEU  15  -8.716   1.565   3.638
    7   HD11  LEU  15          HD12      LEU  15  -8.662   0.087   2.677
    8   HD13  LEU  15          HD13      LEU  15  -9.886   1.312   2.342
    9   HD21  LEU  15          HD21      LEU  15  -5.855   2.368   1.764
   10   HD23  LEU  15          HD22      LEU  15  -6.547   1.867   3.307
   11   HD22  LEU  15          HD23      LEU  15  -6.935   3.453   2.640

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  16           H        LYS  16  -4.885   0.807  -1.954
    2    HA   LYS  16           HA       LYS  16  -5.859  -0.530  -4.173
    3    HB2  LYS  16           HB2      LYS  16  -3.269  -0.413  -2.752
    4    HB3  LYS  16           HB3      LYS  16  -3.499  -1.807  -3.799
    5    HG2  LYS  16           HG2      LYS  16  -3.638  -0.513  -5.711
    6    HG3  LYS  16           HG3      LYS  16  -4.061   0.947  -4.814
    7    HD2  LYS  16           HD2      LYS  16  -1.840   1.206  -4.018
    8    HD3  LYS  16           HD3      LYS  16  -1.382  -0.406  -4.572
    9    HE2  LYS  16           HE2      LYS  16  -2.316   1.717  -6.478
   10    HE3  LYS  16           HE3      LYS  16  -0.630   1.601  -5.975
   11    HZ2  LYS  16           HZ1      LYS  16  -1.385   0.395  -8.100
   12    HZ1  LYS  16           HZ2      LYS  16  -2.026  -0.763  -7.046
   13    HZ3  LYS  16           HZ3      LYS  16  -0.369  -0.424  -7.022

  No H/Q in entry =          13
  In of MODEL   38
    1    HA   PRO  17           HA       PRO  17  -7.286  -4.577  -3.206
    2    HB2  PRO  17           HB2      PRO  17  -4.892  -5.723  -4.574
    3    HB3  PRO  17           HB3      PRO  17  -6.605  -6.096  -4.802
    4    HG2  PRO  17           HG2      PRO  17  -5.301  -4.592  -6.568
    5    HG3  PRO  17           HG3      PRO  17  -6.975  -4.220  -6.116
    6    HD2  PRO  17           HD2      PRO  17  -4.447  -2.858  -5.317
    7    HD3  PRO  17           HD3      PRO  17  -6.062  -2.174  -5.592

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ALA  18           H        ALA  18  -7.178  -5.434  -1.233
    2    HA   ALA  18           HA       ALA  18  -5.103  -5.253   0.560
    3    HB1  ALA  18           HB1      ALA  18  -7.571  -6.043   0.853
    4    HB3  ALA  18           HB2      ALA  18  -6.325  -6.612   1.964
    5    HB2  ALA  18           HB3      ALA  18  -6.878  -7.652   0.652

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  19           H        GLY  19  -3.074  -5.910   0.231
    2    HA3  GLY  19           HA2      GLY  19  -1.586  -7.827   0.442
    3    HA2  GLY  19           HA3      GLY  19  -2.663  -8.702  -0.636

  No H/Q in entry =           3
  In of MODEL   38
    1    H    THR  20           H        THR  20  -1.851  -5.381  -1.257
    2    HA   THR  20           HA       THR  20  -0.334  -6.247  -3.619
    3    HB   THR  20           HB       THR  20  -1.709  -3.611  -3.060
    4    HG1  THR  20           HG1      THR  20  -3.125  -5.387  -3.456
    5   HG22  THR  20          HG21      THR  20  -0.929  -4.420  -5.795
    6   HG21  THR  20          HG22      THR  20   0.334  -3.804  -4.730
    7   HG23  THR  20          HG23      THR  20  -1.083  -2.814  -5.082

  No H/Q in entry =           7
  In of MODEL   38
    1    H    THR  21           H        THR  21   1.793  -6.126  -3.429
    2    HA   THR  21           HA       THR  21   3.169  -4.829  -1.372
    3    HB   THR  21           HB       THR  21   4.297  -6.584  -2.465
    4    HG1  THR  21           HG1      THR  21   5.527  -4.257  -3.508
    5   HG23  THR  21          HG21      THR  21   3.296  -6.774  -4.569
    6   HG22  THR  21          HG22      THR  21   4.982  -6.371  -4.892
    7   HG21  THR  21          HG23      THR  21   3.737  -5.128  -5.022

  No H/Q in entry =           7
  In of MODEL   38
    1    H    CYS  22           H        CYS  22   4.711  -3.050  -1.545
    2    HA   CYS  22           HA       CYS  22   3.804  -0.977  -3.435
    3    HB2  CYS  22           HB2      CYS  22   4.546   0.645  -1.597
    4    HB3  CYS  22           HB3      CYS  22   3.053  -0.248  -1.323

  No H/Q in entry =           4
  In of MODEL   38
    1    H    TRP  23           H        TRP  23   6.531  -2.223  -1.554
    2    HA   TRP  23           HA       TRP  23   8.337  -1.084  -3.577
    3    HB2  TRP  23           HB2      TRP  23   8.238   0.002  -1.152
    4    HB3  TRP  23           HB3      TRP  23   9.302  -1.347  -0.768
    5    HD1  TRP  23           HD1      TRP  23   9.206   1.247  -3.672
    6    HE1  TRP  23           HE1      TRP  23  11.600   2.131  -4.009
    7    HE3  TRP  23           HE3      TRP  23  11.584  -1.436  -0.027
    8    HZ2  TRP  23           HZ2      TRP  23  14.157   1.743  -2.880
    9    HZ3  TRP  23           HZ3      TRP  23  14.005  -1.121   0.279
   10    HH2  TRP  23           HH2      TRP  23  15.264   0.435  -1.119

  No H/Q in entry =          10
  In of MODEL   38
    1    H    ARG  24           H        ARG  24   8.677  -2.975  -4.670
    2    HA   ARG  24           HA       ARG  24  10.031  -5.107  -3.155
    3    HB2  ARG  24           HB2      ARG  24   7.770  -5.836  -3.775
    4    HB3  ARG  24           HB3      ARG  24   8.108  -5.471  -5.461
    5    HG2  ARG  24           HG2      ARG  24   9.515  -7.281  -5.712
    6    HG3  ARG  24           HG3      ARG  24   9.845  -7.395  -3.982
    7    HD2  ARG  24           HD2      ARG  24   8.397  -9.120  -4.094
    8    HD3  ARG  24           HD3      ARG  24   7.192  -7.838  -3.982
    9    HE   ARG  24           HE       ARG  24   7.699  -8.116  -6.662
   10   HH11  ARG  24          HH11      ARG  24   6.595 -10.214  -4.102
   11   HH12  ARG  24          HH12      ARG  24   5.647 -11.209  -5.156
   12   HH21  ARG  24          HH21      ARG  24   6.452  -9.422  -8.050
   13   HH22  ARG  24          HH22      ARG  24   5.566 -10.759  -7.398

  No H/Q in entry =          13
  In of MODEL   38
    1    H    THR  25           H        THR  25  12.094  -5.107  -3.742
    2    HA   THR  25           HA       THR  25  12.785  -4.443  -6.519
    3    HB   THR  25           HB       THR  25  15.173  -4.420  -5.332
    4    HG1  THR  25           HG1      THR  25  13.417  -3.686  -3.235
    5   HG22  THR  25          HG21      THR  25  14.612  -1.984  -4.598
    6   HG21  THR  25          HG22      THR  25  13.097  -2.293  -5.448
    7   HG23  THR  25          HG23      THR  25  14.633  -2.423  -6.306

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  26           H        SER  26  13.052  -6.906  -4.054
    2    HA   SER  26           HA       SER  26  13.417  -8.988  -5.898
    3    HB2  SER  26           HB2      SER  26  15.888  -7.751  -4.815
    4    HB3  SER  26           HB3      SER  26  15.831  -9.514  -4.833
    5    HG   SER  26           HG       SER  26  16.436  -7.980  -6.830

  No H/Q in entry =           5
  In of MODEL   38
    1    H    VAL  27           H        VAL  27  15.081  -8.601  -2.802
    2    HA   VAL  27           HA       VAL  27  13.753 -10.946  -1.761
    3    HB   VAL  27           HB       VAL  27  16.133 -10.567  -1.287
    4   HG12  VAL  27          HG11      VAL  27  15.619  -8.483   0.728
    5   HG11  VAL  27          HG12      VAL  27  15.505  -7.963  -0.953
    6   HG13  VAL  27          HG13      VAL  27  16.991  -8.703  -0.358
    7   HG23  VAL  27          HG21      VAL  27  14.892 -10.305   1.394
    8   HG22  VAL  27          HG22      VAL  27  16.045 -11.494   0.788
    9   HG21  VAL  27          HG23      VAL  27  14.338 -11.627   0.367

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  28           H        SER  28  13.594  -7.474  -1.343
    2    HA   SER  28           HA       SER  28  11.965  -7.547   1.006
    3    HB2  SER  28           HB2      SER  28  12.419  -5.302  -0.976
    4    HB3  SER  28           HB3      SER  28  11.668  -5.134   0.611
    5    HG   SER  28           HG       SER  28  13.721  -6.043   1.426

  No H/Q in entry =           5
  In of MODEL   38
    1    H    SER  29           H        SER  29   9.752  -7.079   1.188
    2    HA   SER  29           HA       SER  29   8.084  -6.746  -1.111
    3    HB2  SER  29           HB2      SER  29   8.598  -9.178  -1.253
    4    HB3  SER  29           HB3      SER  29   7.897  -9.390   0.352
    5    HG   SER  29           HG       SER  29   5.950  -8.406  -0.617

  No H/Q in entry =           5
  In of MODEL   38
    1    H    HIS  30           H        HIS  30   7.159  -5.037  -0.051
    2    HA   HIS  30           HA       HIS  30   5.981  -5.480   2.585
    3    HB2  HIS  30           HB2      HIS  30   6.330  -2.983   0.919
    4    HB3  HIS  30           HB3      HIS  30   5.505  -3.013   2.473
    5    HD1  HIS  30           HD1      HIS  30   7.096  -1.766   3.935
    6    HD2  HIS  30           HD2      HIS  30   8.989  -4.706   1.692
    7    HE1  HIS  30           HE1      HIS  30   9.463  -1.838   4.782
    8    HE2  HIS  30           HE2      HIS  30  10.565  -3.684   3.470

  No H/Q in entry =           8
  In of MODEL   38
    1    H    TYR  31           H        TYR  31   4.354  -6.951   1.762
    2    HA   TYR  31           HA       TYR  31   2.420  -6.181  -0.148
    3    HB2  TYR  31           HB2      TYR  31   2.605  -8.323   1.931
    4    HB3  TYR  31           HB3      TYR  31   1.055  -8.023   1.152
    5    HD1  TYR  31           HD1      TYR  31   3.935  -9.953   1.000
    6    HD2  TYR  31           HD2      TYR  31   1.268  -7.805  -1.524
    7    HE1  TYR  31           HE1      TYR  31   4.634 -11.340  -0.906
    8    HE2  TYR  31           HE2      TYR  31   1.958  -9.187  -3.438
    9    HH   TYR  31           HH       TYR  31   4.673 -11.280  -3.311

  No H/Q in entry =           9
  In of MODEL   38
    1    H    CYS  32           H        CYS  32   0.479  -5.172   0.033
    2    HA   CYS  32           HA       CYS  32   0.035  -3.594   2.402
    3    HB2  CYS  32           HB2      CYS  32  -0.329  -2.790   0.023
    4    HB3  CYS  32           HB3      CYS  32  -1.769  -3.802  -0.011

  No H/Q in entry =           4
  In of MODEL   38
    1    H    THR  33           H        THR  33  -2.047  -3.506   3.506
    2    HA   THR  33           HA       THR  33  -3.218  -6.192   3.758
    3    HB   THR  33           HB       THR  33  -2.196  -5.419   5.804
    4    HG1  THR  33           HG1      THR  33  -5.000  -5.095   6.046
    5   HG22  THR  33          HG21      THR  33  -3.529  -3.393   6.892
    6   HG21  THR  33          HG22      THR  33  -3.617  -2.904   5.200
    7   HG23  THR  33          HG23      THR  33  -2.048  -3.174   5.959

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY  34           H        GLY  34  -3.915  -3.730   1.961
    2    HA3  GLY  34           HA2      GLY  34  -5.818  -2.745   1.136
    3    HA2  GLY  34           HA3      GLY  34  -6.612  -4.231   1.632

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ARG  35           H        ARG  35  -5.085  -2.228   4.020
    2    HA   ARG  35           HA       ARG  35  -7.751  -1.399   4.961
    3    HB2  ARG  35           HB2      ARG  35  -5.270  -2.200   6.459
    4    HB3  ARG  35           HB3      ARG  35  -6.522  -1.233   7.226
    5    HG2  ARG  35           HG2      ARG  35  -8.103  -2.954   7.071
    6    HG3  ARG  35           HG3      ARG  35  -7.140  -3.847   5.892
    7    HD2  ARG  35           HD2      ARG  35  -6.731  -5.046   7.813
    8    HD3  ARG  35           HD3      ARG  35  -5.377  -3.917   7.814
    9    HE   ARG  35           HE       ARG  35  -6.234  -2.937   9.699
   10   HH11  ARG  35          HH11      ARG  35  -8.681  -4.970   8.263
   11   HH12  ARG  35          HH12      ARG  35  -9.769  -4.819   9.601
   12   HH21  ARG  35          HH21      ARG  35  -7.665  -2.738  11.460
   13   HH22  ARG  35          HH22      ARG  35  -9.193  -3.552  11.416

  No H/Q in entry =          13
  In of MODEL   38
    1    H    SER  36           H        SER  36  -4.404  -0.424   4.517
    2    HA   SER  36           HA       SER  36  -5.266   2.383   4.703
    3    HB2  SER  36           HB2      SER  36  -2.664   1.238   5.748
    4    HB3  SER  36           HB3      SER  36  -3.089   2.949   5.723
    5    HG   SER  36           HG       SER  36  -3.730   2.385   7.689

  No H/Q in entry =           5
  In of MODEL   38
    1    H    CYS  37           H        CYS  37  -3.856   3.887   3.507
    2    HA   CYS  37           HA       CYS  37  -2.953   2.637   1.025
    3    HB2  CYS  37           HB2      CYS  37  -3.780   5.417   1.786
    4    HB3  CYS  37           HB3      CYS  37  -2.821   5.150   0.335

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLU  38           H        GLU  38  -1.499   3.043   3.782
    2    HA   GLU  38           HA       GLU  38   1.039   3.886   2.560
    3    HB2  GLU  38           HB2      GLU  38   0.084   4.566   5.348
    4    HB3  GLU  38           HB3      GLU  38   1.683   4.923   4.708
    5    HG2  GLU  38           HG2      GLU  38   0.608   6.932   4.446
    6    HG3  GLU  38           HG3      GLU  38   0.380   6.194   2.862

  No H/Q in entry =           6
  In of MODEL   38
    1    H    CYS  39           H        CYS  39   2.343   2.184   2.510
    2    HA   CYS  39           HA       CYS  39   1.966  -0.207   3.875
    3    HB2  CYS  39           HB2      CYS  39   4.287   1.020   2.442
    4    HB3  CYS  39           HB3      CYS  39   4.533  -0.465   3.354

  No H/Q in entry =           4
  In of MODEL   38
    1    HA   PRO  40           HA       PRO  40   3.189   0.609   8.060
    2    HB2  PRO  40           HB2      PRO  40   4.269  -2.162   7.953
    3    HB3  PRO  40           HB3      PRO  40   3.143  -1.436   9.105
    4    HG2  PRO  40           HG2      PRO  40   2.277  -3.124   7.236
    5    HG3  PRO  40           HG3      PRO  40   1.322  -1.701   7.694
    6    HD2  PRO  40           HD2      PRO  40   3.004  -2.157   5.269
    7    HD3  PRO  40           HD3      PRO  40   1.462  -1.292   5.429

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  41           H        SER  41   5.200   0.169   9.486
    2    HA   SER  41           HA       SER  41   7.459   1.275   8.120
    3    HB2  SER  41           HB2      SER  41   7.193   0.271  10.965
    4    HB3  SER  41           HB3      SER  41   8.546   1.211  10.337
    5    HG   SER  41           HG       SER  41   7.175   2.941  10.026

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  42           H        TYR  42   6.511  -1.899   9.221
    2    HA   TYR  42           HA       TYR  42   9.150  -2.992   8.593
    3    HB2  TYR  42           HB2      TYR  42   8.104  -5.139   9.475
    4    HB3  TYR  42           HB3      TYR  42   8.311  -3.837  10.642
    5    HD1  TYR  42           HD1      TYR  42   5.842  -5.635   8.566
    6    HD2  TYR  42           HD2      TYR  42   6.434  -2.840  11.718
    7    HE1  TYR  42           HE1      TYR  42   3.451  -5.767   9.124
    8    HE2  TYR  42           HE2      TYR  42   4.045  -2.966  12.286
    9    HH   TYR  42           HH       TYR  42   1.965  -5.354  10.970

  No H/Q in entry =           9
  In of MODEL   38
    1    HA   PRO  43           HA       PRO  43   7.965  -4.603   4.667
    2    HB2  PRO  43           HB2      PRO  43   9.316  -6.951   4.571
    3    HB3  PRO  43           HB3      PRO  43  10.118  -5.381   4.448
    4    HG2  PRO  43           HG2      PRO  43   9.841  -7.186   6.821
    5    HG3  PRO  43           HG3      PRO  43  11.261  -6.282   6.262
    6    HD2  PRO  43           HD2      PRO  43   9.690  -5.421   8.294
    7    HD3  PRO  43           HD3      PRO  43  10.529  -4.307   7.197

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY  44           H        GLY  44   7.224  -6.772   3.598
    2    HA3  GLY  44           HA2      GLY  44   5.579  -8.362   3.426
    3    HA2  GLY  44           HA3      GLY  44   5.955  -8.771   5.093

  No H/Q in entry =           3
  In of MODEL   39
    1    H1   ALA   1           H1       ALA   1 -15.667  13.652   2.853
    2    H2   ALA   1           H3       ALA   1 -17.292  14.194   2.927
    3    H3   ALA   1           H2       ALA   1 -16.866  12.670   3.591
    4    HA   ALA   1           HA       ALA   1 -17.852  12.143   1.628
    5    HB2  ALA   1           HB1      ALA   1 -16.394  14.532   0.541
    6    HB1  ALA   1           HB2      ALA   1 -18.131  14.229   0.594
    7    HB3  ALA   1           HB3      ALA   1 -17.110  13.311  -0.513

  No H/Q in entry =           7
  In of MODEL   39
    1    H    MET   2           H        MET   2 -15.507  11.284   3.050
    2    HA   MET   2           HA       MET   2 -13.778   9.823   2.834
    3    HB2  MET   2           HB2      MET   2 -15.522   8.705   1.361
    4    HB3  MET   2           HB3      MET   2 -14.686   9.416  -0.013
    5    HG2  MET   2           HG2      MET   2 -14.011   7.110   0.342
    6    HG3  MET   2           HG3      MET   2 -12.659   8.217   0.572
    7    HE1  MET   2           HE1      MET   2 -15.658   6.932   2.278
    8    HE3  MET   2           HE2      MET   2 -15.290   7.467   3.917
    9    HE2  MET   2           HE3      MET   2 -15.039   5.781   3.463

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP   3           H        ASP   3 -11.831  10.729   2.881
    2    HA   ASP   3           HA       ASP   3 -10.963  12.465   0.711
    3    HB2  ASP   3           HB2      ASP   3 -10.100  11.967   3.513
    4    HB3  ASP   3           HB3      ASP   3  -8.864  12.496   2.375

  No H/Q in entry =           4
  In of MODEL   39
    1    H    CYS   4           H        CYS   4  -8.591  12.235   0.055
    2    HA   CYS   4           HA       CYS   4  -8.108   9.409  -0.596
    3    HB2  CYS   4           HB2      CYS   4  -7.011  11.872  -1.965
    4    HB3  CYS   4           HB3      CYS   4  -6.825  10.205  -2.501

  No H/Q in entry =           4
  In of MODEL   39
    1    H    THR   5           H        THR   5  -6.727   8.522   0.800
    2    HA   THR   5           HA       THR   5  -4.641  10.071   2.061
    3    HB   THR   5           HB       THR   5  -5.676   8.441   3.449
    4    HG1  THR   5           HG1      THR   5  -3.209   7.314   2.632
    5   HG21  THR   5          HG21      THR   5  -5.740   6.824   1.098
    6   HG23  THR   5          HG22      THR   5  -6.576   6.600   2.635
    7   HG22  THR   5          HG23      THR   5  -4.954   5.944   2.409

  No H/Q in entry =           7
  In of MODEL   39
    1    H    THR   6           H        THR   6  -3.699  10.607  -0.095
    2    HA   THR   6           HA       THR   6  -2.556   8.908  -1.892
    3    HB   THR   6           HB       THR   6  -0.650  10.783  -1.880
    4    HG1  THR   6           HG1      THR   6  -1.120  12.471  -0.715
    5   HG22  THR   6          HG21      THR   6  -2.996  12.154  -2.740
    6   HG21  THR   6          HG22      THR   6  -3.095  10.459  -3.219
    7   HG23  THR   6          HG23      THR   6  -1.707  11.433  -3.704

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY   7           H        GLY   7  -1.014   7.418  -1.892
    2    HA3  GLY   7           HA2      GLY   7   1.359   7.584  -0.333
    3    HA2  GLY   7           HA3      GLY   7   0.224   6.452   0.388

  No H/Q in entry =           3
  In of MODEL   39
    1    HA   PRO   8           HA       PRO   8   2.722   4.181  -2.816
    2    HB2  PRO   8           HB2      PRO   8   3.518   2.142  -1.240
    3    HB3  PRO   8           HB3      PRO   8   4.383   3.683  -1.294
    4    HG2  PRO   8           HG2      PRO   8   2.396   2.697   0.716
    5    HG3  PRO   8           HG3      PRO   8   3.932   3.541   0.985
    6    HD2  PRO   8           HD2      PRO   8   1.518   4.795   1.054
    7    HD3  PRO   8           HD3      PRO   8   3.015   5.606   0.554

  No H/Q in entry =           7
  In of MODEL   39
    1    H    CYS   9           H        CYS   9   0.336   3.164  -0.448
    2    HA   CYS   9           HA       CYS   9  -0.493   0.963  -2.209
    3    HB2  CYS   9           HB2      CYS   9  -0.320   1.247   0.639
    4    HB3  CYS   9           HB3      CYS   9  -1.994   0.935   0.198

  No H/Q in entry =           4
  In of MODEL   39
    1    H    CYS  10           H        CYS  10  -1.054   3.768  -2.760
    2    HA   CYS  10           HA       CYS  10  -3.999   3.708  -2.604
    3    HB2  CYS  10           HB2      CYS  10  -2.224   5.701  -1.694
    4    HB3  CYS  10           HB3      CYS  10  -2.968   6.346  -3.153

  No H/Q in entry =           4
  In of MODEL   39
    1    H    ARG  11           H        ARG  11  -4.781   3.124  -4.526
    2    HA   ARG  11           HA       ARG  11  -3.392   3.214  -6.946
    3    HB2  ARG  11           HB2      ARG  11  -6.178   2.696  -6.114
    4    HB3  ARG  11           HB3      ARG  11  -5.969   3.194  -7.788
    5    HG2  ARG  11           HG2      ARG  11  -4.132   1.097  -6.847
    6    HG3  ARG  11           HG3      ARG  11  -5.835   0.644  -6.944
    7    HD2  ARG  11           HD2      ARG  11  -4.717   2.121  -9.249
    8    HD3  ARG  11           HD3      ARG  11  -4.145   0.470  -9.018
    9    HE   ARG  11           HE       ARG  11  -6.998   0.697  -8.883
   10   HH11  ARG  11          HH11      ARG  11  -4.277   0.386 -11.045
   11   HH12  ARG  11          HH12      ARG  11  -5.208  -0.334 -12.315
   12   HH21  ARG  11          HH21      ARG  11  -8.225  -0.250 -10.551
   13   HH22  ARG  11          HH22      ARG  11  -7.450  -0.695 -12.035

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  12           H        GLN  12  -6.455   4.946  -6.790
    2    HA   GLN  12           HA       GLN  12  -5.083   7.317  -7.876
    3    HB2  GLN  12           HB2      GLN  12  -6.798   5.828  -9.290
    4    HB3  GLN  12           HB3      GLN  12  -7.959   6.869  -8.479
    5    HG2  GLN  12           HG2      GLN  12  -5.685   8.283  -9.660
    6    HG3  GLN  12           HG3      GLN  12  -6.713   7.442 -10.820
    7   HE21  GLN  12          HE21      GLN  12  -7.932   8.948 -11.725
    8   HE22  GLN  12          HE22      GLN  12  -8.870  10.129 -10.881

  No H/Q in entry =           8
  In of MODEL   39
    1    H    CYS  13           H        CYS  13  -7.279   6.069  -5.528
    2    HA   CYS  13           HA       CYS  13  -7.179   8.278  -3.860
    3    HB2  CYS  13           HB2      CYS  13  -9.138   8.535  -6.005
    4    HB3  CYS  13           HB3      CYS  13  -9.879   8.655  -4.413

  No H/Q in entry =           4
  In of MODEL   39
    1    H    LYS  14           H        LYS  14  -7.153   5.423  -3.728
    2    HA   LYS  14           HA       LYS  14  -8.884   5.053  -1.494
    3    HB2  LYS  14           HB2      LYS  14  -9.651   3.924  -4.141
    4    HB3  LYS  14           HB3      LYS  14  -9.887   2.914  -2.722
    5    HG2  LYS  14           HG2      LYS  14 -11.000   5.183  -1.836
    6    HG3  LYS  14           HG3      LYS  14 -11.298   5.360  -3.566
    7    HD2  LYS  14           HD2      LYS  14 -12.423   3.224  -3.633
    8    HD3  LYS  14           HD3      LYS  14 -12.024   2.925  -1.940
    9    HE2  LYS  14           HE2      LYS  14 -13.718   5.221  -2.913
   10    HE3  LYS  14           HE3      LYS  14 -14.364   3.693  -2.315
   11    HZ1  LYS  14           HZ1      LYS  14 -13.225   4.126  -0.198
   12    HZ3  LYS  14           HZ2      LYS  14 -14.366   5.319  -0.565
   13    HZ2  LYS  14           HZ3      LYS  14 -12.718   5.631  -0.781

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  15           H        LEU  15  -8.430   3.158  -0.324
    2    HA   LEU  15           HA       LEU  15  -5.790   2.285  -0.373
    3    HB2  LEU  15           HB2      LEU  15  -7.008   2.087   1.647
    4    HB3  LEU  15           HB3      LEU  15  -8.273   1.145   0.882
    5    HG   LEU  15           HG       LEU  15  -6.473  -0.658   0.532
    6   HD13  LEU  15          HD11      LEU  15  -4.440  -0.455   1.440
    7   HD12  LEU  15          HD12      LEU  15  -5.063   0.308   2.903
    8   HD11  LEU  15          HD13      LEU  15  -4.785   1.274   1.455
    9   HD22  LEU  15          HD21      LEU  15  -7.338  -1.704   2.318
   10   HD21  LEU  15          HD22      LEU  15  -8.335  -0.257   2.465
   11   HD23  LEU  15          HD23      LEU  15  -6.867  -0.418   3.428

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  16           H        LYS  16  -4.735   0.915  -1.636
    2    HA   LYS  16           HA       LYS  16  -5.961  -0.476  -3.754
    3    HB2  LYS  16           HB2      LYS  16  -3.238  -0.345  -2.578
    4    HB3  LYS  16           HB3      LYS  16  -3.603  -1.756  -3.561
    5    HG2  LYS  16           HG2      LYS  16  -4.214  -0.305  -5.426
    6    HG3  LYS  16           HG3      LYS  16  -3.856   1.114  -4.440
    7    HD2  LYS  16           HD2      LYS  16  -1.549  -0.290  -4.184
    8    HD3  LYS  16           HD3      LYS  16  -2.039  -0.745  -5.818
    9    HE2  LYS  16           HE2      LYS  16  -2.273   1.655  -6.370
   10    HE3  LYS  16           HE3      LYS  16  -1.674   2.057  -4.761
   11    HZ1  LYS  16           HZ1      LYS  16  -0.057   0.293  -6.454
   12    HZ3  LYS  16           HZ2      LYS  16   0.435   1.408  -5.282
   13    HZ2  LYS  16           HZ3      LYS  16  -0.070   1.949  -6.802

  No H/Q in entry =          13
  In of MODEL   39
    1    HA   PRO  17           HA       PRO  17  -7.367  -4.355  -2.231
    2    HB2  PRO  17           HB2      PRO  17  -5.358  -5.728  -3.949
    3    HB3  PRO  17           HB3      PRO  17  -7.106  -5.966  -3.851
    4    HG2  PRO  17           HG2      PRO  17  -6.019  -4.657  -5.903
    5    HG3  PRO  17           HG3      PRO  17  -7.564  -4.141  -5.202
    6    HD2  PRO  17           HD2      PRO  17  -4.850  -2.939  -4.907
    7    HD3  PRO  17           HD3      PRO  17  -6.437  -2.146  -4.976

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ALA  18           H        ALA  18  -6.925  -5.260  -0.326
    2    HA   ALA  18           HA       ALA  18  -4.566  -5.042   1.080
    3    HB1  ALA  18           HB1      ALA  18  -6.899  -5.765   1.878
    4    HB3  ALA  18           HB2      ALA  18  -5.493  -6.470   2.675
    5    HB2  ALA  18           HB3      ALA  18  -6.381  -7.400   1.468

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  19           H        GLY  19  -2.799  -6.378   1.477
    2    HA3  GLY  19           HA2      GLY  19  -1.261  -8.055   1.101
    3    HA2  GLY  19           HA3      GLY  19  -2.520  -8.956   0.270

  No H/Q in entry =           3
  In of MODEL   39
    1    H    THR  20           H        THR  20  -2.088  -5.792  -0.909
    2    HA   THR  20           HA       THR  20  -0.737  -6.868  -3.278
    3    HB   THR  20           HB       THR  20  -2.334  -4.330  -2.887
    4    HG1  THR  20           HG1      THR  20  -3.630  -6.156  -2.995
    5   HG22  THR  20          HG21      THR  20  -1.942  -5.124  -5.625
    6   HG21  THR  20          HG22      THR  20  -0.406  -4.766  -4.835
    7   HG23  THR  20          HG23      THR  20  -1.691  -3.557  -4.856

  No H/Q in entry =           7
  In of MODEL   39
    1    H    THR  21           H        THR  21   1.394  -6.639  -3.230
    2    HA   THR  21           HA       THR  21   2.895  -4.975  -1.620
    3    HB   THR  21           HB       THR  21   4.032  -6.738  -2.676
    4    HG1  THR  21           HG1      THR  21   4.864  -4.477  -4.161
    5   HG22  THR  21          HG21      THR  21   4.075  -6.002  -5.431
    6   HG21  THR  21          HG22      THR  21   2.407  -6.200  -4.892
    7   HG23  THR  21          HG23      THR  21   3.563  -7.515  -4.684

  No H/Q in entry =           7
  In of MODEL   39
    1    H    CYS  22           H        CYS  22   3.475  -2.890  -1.641
    2    HA   CYS  22           HA       CYS  22   2.490  -1.228  -3.846
    3    HB2  CYS  22           HB2      CYS  22   2.727   0.657  -2.285
    4    HB3  CYS  22           HB3      CYS  22   1.709  -0.612  -1.613

  No H/Q in entry =           4
  In of MODEL   39
    1    H    TRP  23           H        TRP  23   5.394  -2.169  -2.153
    2    HA   TRP  23           HA       TRP  23   7.009  -0.264  -3.659
    3    HB2  TRP  23           HB2      TRP  23   7.325  -0.830  -1.155
    4    HB3  TRP  23           HB3      TRP  23   8.088  -2.306  -1.736
    5    HD1  TRP  23           HD1      TRP  23   8.624   1.001  -3.578
    6    HE1  TRP  23           HE1      TRP  23  11.091   1.693  -3.327
    7    HE3  TRP  23           HE3      TRP  23  10.123  -2.541  -0.209
    8    HZ2  TRP  23           HZ2      TRP  23  13.370   0.850  -1.890
    9    HZ3  TRP  23           HZ3      TRP  23  12.462  -2.529   0.552
   10    HH2  TRP  23           HH2      TRP  23  14.051  -0.869  -0.272

  No H/Q in entry =          10
  In of MODEL   39
    1    H    ARG  24           H        ARG  24   7.185  -3.740  -2.955
    2    HA   ARG  24           HA       ARG  24   7.845  -5.525  -4.203
    3    HB2  ARG  24           HB2      ARG  24   6.078  -4.388  -5.748
    4    HB3  ARG  24           HB3      ARG  24   7.473  -3.919  -6.709
    5    HG2  ARG  24           HG2      ARG  24   8.107  -6.347  -6.789
    6    HG3  ARG  24           HG3      ARG  24   6.541  -6.701  -6.057
    7    HD2  ARG  24           HD2      ARG  24   6.704  -5.013  -8.520
    8    HD3  ARG  24           HD3      ARG  24   6.804  -6.769  -8.644
    9    HE   ARG  24           HE       ARG  24   4.468  -5.214  -8.126
   10   HH11  ARG  24          HH11      ARG  24   5.979  -8.298  -7.507
   11   HH12  ARG  24          HH12      ARG  24   4.478  -9.125  -7.259
   12   HH21  ARG  24          HH21      ARG  24   2.492  -6.300  -7.800
   13   HH22  ARG  24          HH22      ARG  24   2.498  -7.991  -7.425

  No H/Q in entry =          13
  In of MODEL   39
    1    H    THR  25           H        THR  25   9.884  -6.160  -4.276
    2    HA   THR  25           HA       THR  25  11.783  -5.100  -6.094
    3    HB   THR  25           HB       THR  25  13.356  -4.509  -4.008
    4    HG1  THR  25           HG1      THR  25  10.795  -3.642  -3.165
    5   HG21  THR  25          HG21      THR  25  12.341  -3.049  -6.009
    6   HG23  THR  25          HG22      THR  25  13.296  -2.371  -4.691
    7   HG22  THR  25          HG23      THR  25  11.536  -2.286  -4.638

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  26           H        SER  26  14.099  -5.958  -5.385
    2    HA   SER  26           HA       SER  26  13.692  -8.786  -4.742
    3    HB2  SER  26           HB2      SER  26  14.922  -7.908  -6.864
    4    HB3  SER  26           HB3      SER  26  16.274  -7.637  -5.765
    5    HG   SER  26           HG       SER  26  16.012  -9.898  -5.163

  No H/Q in entry =           5
  In of MODEL   39
    1    H    VAL  27           H        VAL  27  13.739  -6.709  -2.685
    2    HA   VAL  27           HA       VAL  27  16.178  -7.489  -1.228
    3    HB   VAL  27           HB       VAL  27  16.012  -5.070  -1.618
    4   HG13  VAL  27          HG11      VAL  27  13.648  -4.756  -1.762
    5   HG12  VAL  27          HG12      VAL  27  14.239  -3.792  -0.409
    6   HG11  VAL  27          HG13      VAL  27  13.417  -5.323  -0.108
    7   HG23  VAL  27          HG21      VAL  27  15.467  -5.270   1.285
    8   HG22  VAL  27          HG22      VAL  27  16.819  -4.524   0.431
    9   HG21  VAL  27          HG23      VAL  27  16.767  -6.274   0.643

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  28           H        SER  28  12.687  -7.221  -1.088
    2    HA   SER  28           HA       SER  28  12.383  -9.299   0.758
    3    HB2  SER  28           HB2      SER  28  13.250  -7.901   2.480
    4    HB3  SER  28           HB3      SER  28  12.296  -6.521   1.937
    5    HG   SER  28           HG       SER  28  11.057  -7.242   3.517

  No H/Q in entry =           5
  In of MODEL   39
    1    H    SER  29           H        SER  29  11.059  -6.292  -0.500
    2    HA   SER  29           HA       SER  29   9.020  -5.752  -1.347
    3    HB2  SER  29           HB2      SER  29   7.879  -7.361  -2.577
    4    HB3  SER  29           HB3      SER  29   9.491  -8.067  -2.481
    5    HG   SER  29           HG       SER  29   8.724  -9.638  -1.308

  No H/Q in entry =           5
  In of MODEL   39
    1    H    HIS  30           H        HIS  30   6.931  -5.309  -0.652
    2    HA   HIS  30           HA       HIS  30   6.205  -6.461   1.963
    3    HB2  HIS  30           HB2      HIS  30   5.564  -3.661   1.021
    4    HB3  HIS  30           HB3      HIS  30   5.307  -4.329   2.630
    5    HD1  HIS  30           HD1      HIS  30   6.867  -3.064   4.084
    6    HD2  HIS  30           HD2      HIS  30   8.685  -4.302   0.559
    7    HE1  HIS  30           HE1      HIS  30   9.288  -2.424   4.315
    8    HE2  HIS  30           HE2      HIS  30  10.350  -3.105   2.134

  No H/Q in entry =           8
  In of MODEL   39
    1    H    TYR  31           H        TYR  31   3.705  -5.430   2.271
    2    HA   TYR  31           HA       TYR  31   2.142  -6.015  -0.107
    3    HB2  TYR  31           HB2      TYR  31   2.220  -7.773   2.317
    4    HB3  TYR  31           HB3      TYR  31   0.714  -7.602   1.421
    5    HD1  TYR  31           HD1      TYR  31   1.311  -7.673  -1.311
    6    HD2  TYR  31           HD2      TYR  31   3.315  -9.734   1.824
    7    HE1  TYR  31           HE1      TYR  31   2.071  -9.370  -2.921
    8    HE2  TYR  31           HE2      TYR  31   4.081 -11.437   0.224
    9    HH   TYR  31           HH       TYR  31   4.221 -11.081  -2.915

  No H/Q in entry =           9
  In of MODEL   39
    1    H    CYS  32           H        CYS  32   0.015  -5.219  -0.013
    2    HA   CYS  32           HA       CYS  32  -0.358  -2.946   1.597
    3    HB2  CYS  32           HB2      CYS  32  -1.541  -3.935  -0.672
    4    HB3  CYS  32           HB3      CYS  32  -2.816  -4.145   0.522

  No H/Q in entry =           4
  In of MODEL   39
    1    H    THR  33           H        THR  33  -1.278  -2.643   3.522
    2    HA   THR  33           HA       THR  33  -1.891  -4.909   5.161
    3    HB   THR  33           HB       THR  33  -0.781  -2.919   6.071
    4    HG1  THR  33           HG1      THR  33  -3.363  -3.322   7.173
    5   HG22  THR  33          HG21      THR  33  -2.981  -1.191   6.471
    6   HG21  THR  33          HG22      THR  33  -2.844  -1.511   4.741
    7   HG23  THR  33          HG23      THR  33  -1.463  -0.869   5.633

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY  34           H        GLY  34  -3.690  -3.332   2.865
    2    HA3  GLY  34           HA2      GLY  34  -5.935  -3.236   2.395
    3    HA2  GLY  34           HA3      GLY  34  -6.082  -4.631   3.453

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ARG  35           H        ARG  35  -4.832  -1.656   4.727
    2    HA   ARG  35           HA       ARG  35  -7.426  -1.122   6.011
    3    HB2  ARG  35           HB2      ARG  35  -5.458  -2.203   7.408
    4    HB3  ARG  35           HB3      ARG  35  -4.889  -0.540   7.471
    5    HG2  ARG  35           HG2      ARG  35  -7.722  -1.093   8.180
    6    HG3  ARG  35           HG3      ARG  35  -6.458  -1.528   9.333
    7    HD2  ARG  35           HD2      ARG  35  -6.352   1.175   8.107
    8    HD3  ARG  35           HD3      ARG  35  -7.596   0.871   9.319
    9    HE   ARG  35           HE       ARG  35  -4.967   0.046  10.135
   10   HH11  ARG  35          HH11      ARG  35  -7.203   2.721   9.976
   11   HH12  ARG  35          HH12      ARG  35  -6.465   3.578  11.287
   12   HH21  ARG  35          HH21      ARG  35  -3.996   1.171  11.860
   13   HH22  ARG  35          HH22      ARG  35  -4.644   2.699  12.357

  No H/Q in entry =          13
  In of MODEL   39
    1    H    SER  36           H        SER  36  -4.283   0.213   5.103
    2    HA   SER  36           HA       SER  36  -5.585   2.741   4.449
    3    HB2  SER  36           HB2      SER  36  -4.155   4.102   5.744
    4    HB3  SER  36           HB3      SER  36  -4.623   2.799   6.836
    5    HG   SER  36           HG       SER  36  -2.631   2.086   6.852

  No H/Q in entry =           5
  In of MODEL   39
    1    H    CYS  37           H        CYS  37  -4.176   4.171   3.152
    2    HA   CYS  37           HA       CYS  37  -2.835   2.666   1.132
    3    HB2  CYS  37           HB2      CYS  37  -3.166   5.630   1.589
    4    HB3  CYS  37           HB3      CYS  37  -2.309   4.967   0.202

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLU  38           H        GLU  38  -1.828   4.267   4.016
    2    HA   GLU  38           HA       GLU  38   0.906   4.646   3.266
    3    HB2  GLU  38           HB2      GLU  38  -0.481   4.622   5.948
    4    HB3  GLU  38           HB3      GLU  38   1.233   4.962   5.748
    5    HG2  GLU  38           HG2      GLU  38  -0.679   6.550   4.137
    6    HG3  GLU  38           HG3      GLU  38  -0.591   6.875   5.868

  No H/Q in entry =           6
  In of MODEL   39
    1    H    CYS  39           H        CYS  39   1.907   2.811   2.608
    2    HA   CYS  39           HA       CYS  39   1.539   0.245   3.643
    3    HB2  CYS  39           HB2      CYS  39   3.533   1.578   1.918
    4    HB3  CYS  39           HB3      CYS  39   4.096   0.122   2.732

  No H/Q in entry =           4
  In of MODEL   39
    1    HA   PRO  40           HA       PRO  40   3.696   0.392   7.504
    2    HB2  PRO  40           HB2      PRO  40   4.154  -2.239   7.890
    3    HB3  PRO  40           HB3      PRO  40   2.536  -1.536   8.009
    4    HG2  PRO  40           HG2      PRO  40   3.791  -3.026   5.736
    5    HG3  PRO  40           HG3      PRO  40   2.153  -3.172   6.401
    6    HD2  PRO  40           HD2      PRO  40   2.721  -1.753   4.150
    7    HD3  PRO  40           HD3      PRO  40   1.386  -1.341   5.243

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  41           H        SER  41   5.733  -0.623   8.543
    2    HA   SER  41           HA       SER  41   7.909  -0.448   6.572
    3    HB2  SER  41           HB2      SER  41   9.341   0.259   8.427
    4    HB3  SER  41           HB3      SER  41   7.915   1.292   8.328
    5    HG   SER  41           HG       SER  41   8.273  -0.898  10.101

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  42           H        TYR  42   6.405  -2.876   7.131
    2    HA   TYR  42           HA       TYR  42   8.434  -4.522   8.477
    3    HB2  TYR  42           HB2      TYR  42   5.659  -5.410   7.697
    4    HB3  TYR  42           HB3      TYR  42   6.752  -6.156   8.858
    5    HD1  TYR  42           HD1      TYR  42   7.546  -4.243  10.713
    6    HD2  TYR  42           HD2      TYR  42   3.819  -4.441   8.672
    7    HE1  TYR  42           HE1      TYR  42   6.490  -2.967  12.530
    8    HE2  TYR  42           HE2      TYR  42   2.752  -3.165  10.482
    9    HH   TYR  42           HH       TYR  42   4.496  -1.503  12.835

  No H/Q in entry =           9
  In of MODEL   39
    1    HA   PRO  43           HA       PRO  43   9.696  -6.298   4.641
    2    HB2  PRO  43           HB2      PRO  43  10.476  -8.768   5.450
    3    HB3  PRO  43           HB3      PRO  43  11.406  -7.307   5.799
    4    HG2  PRO  43           HG2      PRO  43   9.501  -8.806   7.557
    5    HG3  PRO  43           HG3      PRO  43  11.083  -8.111   7.958
    6    HD2  PRO  43           HD2      PRO  43   8.752  -6.885   8.586
    7    HD3  PRO  43           HD3      PRO  43  10.229  -5.982   8.191

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY  44           H        GLY  44   7.333  -7.967   6.617
    2    HA3  GLY  44           HA2      GLY  44   5.267  -8.705   5.632
    3    HA2  GLY  44           HA3      GLY  44   6.147  -9.057   4.152

  No H/Q in entry =           3
  In of MODEL   40
    1    H1   ALA   1           H3       ALA   1 -16.629   5.625   2.342
    2    H2   ALA   1           H2       ALA   1 -16.165   5.638   0.689
    3    H3   ALA   1           H1       ALA   1 -16.024   4.197   1.612
    4    HA   ALA   1           HA       ALA   1 -14.369   5.156   2.968
    5    HB1  ALA   1           HB1      ALA   1 -13.599   4.033   0.993
    6    HB3  ALA   1           HB2      ALA   1 -12.610   5.472   1.242
    7    HB2  ALA   1           HB3      ALA   1 -13.875   5.472   0.013

  No H/Q in entry =           7
  In of MODEL   40
    1    H    MET   2           H        MET   2 -12.725   6.926   3.121
    2    HA   MET   2           HA       MET   2 -13.615   9.534   2.194
    3    HB2  MET   2           HB2      MET   2 -13.754   8.624   5.022
    4    HB3  MET   2           HB3      MET   2 -13.185  10.262   4.730
    5    HG2  MET   2           HG2      MET   2 -15.631   9.498   3.291
    6    HG3  MET   2           HG3      MET   2 -15.771   9.584   5.046
    7    HE2  MET   2           HE1      MET   2 -15.595  12.709   1.939
    8    HE1  MET   2           HE2      MET   2 -14.968  11.064   1.832
    9    HE3  MET   2           HE3      MET   2 -13.903  12.385   2.313

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP   3           H        ASP   3 -11.969  10.972   1.946
    2    HA   ASP   3           HA       ASP   3  -9.841  11.746   1.738
    3    HB2  ASP   3           HB2      ASP   3  -9.844  10.425   4.402
    4    HB3  ASP   3           HB3      ASP   3  -8.275  10.825   3.709

  No H/Q in entry =           4
  In of MODEL   40
    1    H    CYS   4           H        CYS   4  -7.678  11.144   1.101
    2    HA   CYS   4           HA       CYS   4  -7.023   8.348   0.835
    3    HB2  CYS   4           HB2      CYS   4  -6.709   8.713  -1.722
    4    HB3  CYS   4           HB3      CYS   4  -8.296   8.290  -1.093

  No H/Q in entry =           4
  In of MODEL   40
    1    H    THR   5           H        THR   5  -5.011   8.458   1.590
    2    HA   THR   5           HA       THR   5  -3.306  10.711   1.209
    3    HB   THR   5           HB       THR   5  -2.161   8.074   1.977
    4    HG1  THR   5           HG1      THR   5  -3.890   7.812   3.200
    5   HG21  THR   5          HG21      THR   5  -1.336  10.698   2.224
    6   HG23  THR   5          HG22      THR   5  -0.642   9.291   3.031
    7   HG22  THR   5          HG23      THR   5  -1.874  10.257   3.844

  No H/Q in entry =           7
  In of MODEL   40
    1    H    THR   6           H        THR   6  -2.914  11.095  -0.936
    2    HA   THR   6           HA       THR   6  -2.458   9.302  -2.967
    3    HB   THR   6           HB       THR   6  -0.745  11.711  -3.027
    4    HG1  THR   6           HG1      THR   6  -2.239  12.891  -2.145
    5   HG21  THR   6          HG21      THR   6  -2.867  10.597  -4.838
    6   HG23  THR   6          HG22      THR   6  -1.121  10.590  -5.088
    7   HG22  THR   6          HG23      THR   6  -2.012  12.111  -5.129

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY   7           H        GLY   7  -1.142   7.591  -2.799
    2    HA3  GLY   7           HA2      GLY   7   1.714   8.096  -2.533
    3    HA2  GLY   7           HA3      GLY   7   1.002   7.046  -1.317

  No H/Q in entry =           3
  In of MODEL   40
    1    HA   PRO   8           HA       PRO   8   2.307   4.275  -4.747
    2    HB2  PRO   8           HB2      PRO   8   3.136   2.244  -3.171
    3    HB3  PRO   8           HB3      PRO   8   4.155   3.645  -3.523
    4    HG2  PRO   8           HG2      PRO   8   2.500   3.069  -1.096
    5    HG3  PRO   8           HG3      PRO   8   4.146   3.719  -1.198
    6    HD2  PRO   8           HD2      PRO   8   1.957   5.281  -0.790
    7    HD3  PRO   8           HD3      PRO   8   3.409   5.853  -1.636

  No H/Q in entry =           7
  In of MODEL   40
    1    H    CYS   9           H        CYS   9   0.495   3.464  -1.808
    2    HA   CYS   9           HA       CYS   9  -0.868   1.270  -3.117
    3    HB2  CYS   9           HB2      CYS   9  -0.193   1.667  -0.541
    4    HB3  CYS   9           HB3      CYS   9  -1.842   2.282  -0.506

  No H/Q in entry =           4
  In of MODEL   40
    1    H    CYS  10           H        CYS  10  -1.453   4.616  -2.354
    2    HA   CYS  10           HA       CYS  10  -4.246   4.369  -3.224
    3    HB2  CYS  10           HB2      CYS  10  -2.755   6.403  -1.603
    4    HB3  CYS  10           HB3      CYS  10  -4.238   6.864  -2.432

  No H/Q in entry =           4
  In of MODEL   40
    1    H    ARG  11           H        ARG  11  -5.024   5.428  -4.997
    2    HA   ARG  11           HA       ARG  11  -3.321   7.279  -6.452
    3    HB2  ARG  11           HB2      ARG  11  -2.742   4.908  -7.187
    4    HB3  ARG  11           HB3      ARG  11  -4.356   4.835  -7.881
    5    HG2  ARG  11           HG2      ARG  11  -3.543   7.104  -9.006
    6    HG3  ARG  11           HG3      ARG  11  -1.970   6.338  -8.772
    7    HD2  ARG  11           HD2      ARG  11  -3.369   4.268  -9.785
    8    HD3  ARG  11           HD3      ARG  11  -4.191   5.613 -10.574
    9    HE   ARG  11           HE       ARG  11  -2.337   5.933 -11.871
   10   HH11  ARG  11          HH11      ARG  11  -1.456   3.957  -9.132
   11   HH12  ARG  11          HH12      ARG  11   0.137   3.625  -9.725
   12   HH21  ARG  11          HH21      ARG  11  -0.242   5.498 -12.652
   13   HH22  ARG  11          HH22      ARG  11   0.827   4.501 -11.723

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  12           H        GLN  12  -6.271   5.306  -6.797
    2    HA   GLN  12           HA       GLN  12  -7.618   7.516  -8.130
    3    HB2  GLN  12           HB2      GLN  12  -8.268   4.635  -7.631
    4    HB3  GLN  12           HB3      GLN  12  -9.531   5.755  -8.122
    5    HG2  GLN  12           HG2      GLN  12  -7.692   6.324  -9.982
    6    HG3  GLN  12           HG3      GLN  12  -7.275   4.642  -9.660
    7   HE21  GLN  12          HE21      GLN  12  -9.932   6.781 -10.540
    8   HE22  GLN  12          HE22      GLN  12 -10.833   5.599 -11.421

  No H/Q in entry =           8
  In of MODEL   40
    1    H    CYS  13           H        CYS  13  -6.929   7.176  -5.093
    2    HA   CYS  13           HA       CYS  13  -7.780   8.142  -3.222
    3    HB2  CYS  13           HB2      CYS  13  -9.107   9.602  -4.861
    4    HB3  CYS  13           HB3      CYS  13 -10.445   8.494  -4.577

  No H/Q in entry =           4
  In of MODEL   40
    1    H    LYS  14           H        LYS  14  -7.893   5.341  -3.942
    2    HA   LYS  14           HA       LYS  14  -9.784   4.490  -1.900
    3    HB2  LYS  14           HB2      LYS  14  -9.753   3.400  -4.719
    4    HB3  LYS  14           HB3      LYS  14 -10.525   2.579  -3.369
    5    HG2  LYS  14           HG2      LYS  14 -11.237   5.374  -4.213
    6    HG3  LYS  14           HG3      LYS  14 -12.041   3.934  -4.842
    7    HD2  LYS  14           HD2      LYS  14 -12.671   3.302  -2.553
    8    HD3  LYS  14           HD3      LYS  14 -11.892   4.764  -1.944
    9    HE2  LYS  14           HE2      LYS  14 -13.523   6.146  -2.781
   10    HE3  LYS  14           HE3      LYS  14 -13.962   5.024  -4.069
   11    HZ3  LYS  14           HZ1      LYS  14 -15.393   3.922  -2.743
   12    HZ2  LYS  14           HZ2      LYS  14 -15.436   5.388  -1.901
   13    HZ1  LYS  14           HZ3      LYS  14 -14.459   4.124  -1.347

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  15           H        LEU  15  -8.364   3.658  -0.499
    2    HA   LEU  15           HA       LEU  15  -5.853   2.738  -0.827
    3    HB2  LEU  15           HB2      LEU  15  -7.611   2.752   1.241
    4    HB3  LEU  15           HB3      LEU  15  -7.460   1.028   0.963
    5    HG   LEU  15           HG       LEU  15  -5.883   1.585   2.639
    6   HD12  LEU  15          HD11      LEU  15  -4.160   1.557   0.192
    7   HD11  LEU  15          HD12      LEU  15  -5.148   0.161   0.622
    8   HD13  LEU  15          HD13      LEU  15  -3.915   0.746   1.739
    9   HD23  LEU  15          HD21      LEU  15  -4.196   3.454   1.225
   10   HD22  LEU  15          HD22      LEU  15  -4.909   3.574   2.833
   11   HD21  LEU  15          HD23      LEU  15  -5.831   4.086   1.420

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  16           H        LYS  16  -5.019   1.358  -2.232
    2    HA   LYS  16           HA       LYS  16  -6.297  -0.474  -3.796
    3    HB2  LYS  16           HB2      LYS  16  -3.518  -0.057  -2.930
    4    HB3  LYS  16           HB3      LYS  16  -3.870  -1.692  -3.472
    5    HG2  LYS  16           HG2      LYS  16  -4.670  -0.844  -5.598
    6    HG3  LYS  16           HG3      LYS  16  -4.400   0.814  -5.055
    7    HD2  LYS  16           HD2      LYS  16  -1.957  -0.181  -4.616
    8    HD3  LYS  16           HD3      LYS  16  -2.459  -1.244  -5.932
    9    HE2  LYS  16           HE2      LYS  16  -3.228   1.105  -6.956
   10    HE3  LYS  16           HE3      LYS  16  -1.901   1.663  -5.937
   11    HZ2  LYS  16           HZ1      LYS  16  -1.179   1.123  -8.195
   12    HZ1  LYS  16           HZ2      LYS  16  -1.690  -0.475  -7.988
   13    HZ3  LYS  16           HZ3      LYS  16  -0.423   0.134  -7.049

  No H/Q in entry =          13
  In of MODEL   40
    1    HA   PRO  17           HA       PRO  17  -7.439  -4.078  -1.545
    2    HB2  PRO  17           HB2      PRO  17  -6.242  -6.125  -2.951
    3    HB3  PRO  17           HB3      PRO  17  -7.744  -5.327  -3.428
    4    HG2  PRO  17           HG2      PRO  17  -4.957  -4.864  -4.405
    5    HG3  PRO  17           HG3      PRO  17  -6.475  -4.905  -5.321
    6    HD2  PRO  17           HD2      PRO  17  -5.281  -2.588  -4.674
    7    HD3  PRO  17           HD3      PRO  17  -7.050  -2.747  -4.704

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ALA  18           H        ALA  18  -6.768  -5.408   0.093
    2    HA   ALA  18           HA       ALA  18  -4.298  -4.908   1.311
    3    HB3  ALA  18           HB1      ALA  18  -6.218  -7.194   1.742
    4    HB1  ALA  18           HB2      ALA  18  -6.206  -5.649   2.593
    5    HB2  ALA  18           HB3      ALA  18  -4.875  -6.786   2.809

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  19           H        GLY  19  -2.712  -6.675   1.929
    2    HA3  GLY  19           HA2      GLY  19  -1.071  -8.144   1.285
    3    HA2  GLY  19           HA3      GLY  19  -2.322  -8.966   0.366

  No H/Q in entry =           3
  In of MODEL   40
    1    H    THR  20           H        THR  20  -1.767  -5.662  -0.407
    2    HA   THR  20           HA       THR  20  -0.504  -6.494  -2.922
    3    HB   THR  20           HB       THR  20  -1.960  -3.940  -2.207
    4    HG1  THR  20           HG1      THR  20  -3.659  -4.931  -2.897
    5   HG21  THR  20          HG21      THR  20  -0.201  -3.653  -3.962
    6   HG23  THR  20          HG22      THR  20  -1.849  -3.293  -4.479
    7   HG22  THR  20          HG23      THR  20  -1.091  -4.816  -4.944

  No H/Q in entry =           7
  In of MODEL   40
    1    H    THR  21           H        THR  21   1.652  -6.467  -2.673
    2    HA   THR  21           HA       THR  21   3.112  -4.843  -0.939
    3    HB   THR  21           HB       THR  21   4.566  -5.542  -3.377
    4    HG1  THR  21           HG1      THR  21   3.326  -7.258  -3.681
    5   HG21  THR  21          HG21      THR  21   4.804  -6.170  -0.466
    6   HG23  THR  21          HG22      THR  21   5.905  -5.271  -1.509
    7   HG22  THR  21          HG23      THR  21   5.774  -7.022  -1.666

  No H/Q in entry =           7
  In of MODEL   40
    1    H    CYS  22           H        CYS  22   4.228  -2.929  -1.177
    2    HA   CYS  22           HA       CYS  22   3.157  -1.114  -3.161
    3    HB2  CYS  22           HB2      CYS  22   4.912  -0.795  -0.741
    4    HB3  CYS  22           HB3      CYS  22   4.727   0.519  -1.897

  No H/Q in entry =           4
  In of MODEL   40
    1    H    TRP  23           H        TRP  23   6.453  -1.988  -2.100
    2    HA   TRP  23           HA       TRP  23   7.507  -1.042  -4.646
    3    HB2  TRP  23           HB2      TRP  23   8.517  -1.244  -1.970
    4    HB3  TRP  23           HB3      TRP  23   9.581  -2.132  -3.056
    5    HD1  TRP  23           HD1      TRP  23   7.796   1.002  -4.305
    6    HE1  TRP  23           HE1      TRP  23   9.549   2.841  -4.723
    7    HE3  TRP  23           HE3      TRP  23  11.892  -1.308  -2.298
    8    HZ2  TRP  23           HZ2      TRP  23  12.303   3.256  -4.262
    9    HZ3  TRP  23           HZ3      TRP  23  14.047  -0.122  -2.326
   10    HH2  TRP  23           HH2      TRP  23  14.247   2.113  -3.289

  No H/Q in entry =          10
  In of MODEL   40
    1    H    ARG  24           H        ARG  24   8.560  -3.816  -2.725
    2    HA   ARG  24           HA       ARG  24   9.056  -5.965  -3.287
    3    HB2  ARG  24           HB2      ARG  24   6.489  -5.631  -3.984
    4    HB3  ARG  24           HB3      ARG  24   7.159  -5.974  -5.573
    5    HG2  ARG  24           HG2      ARG  24   7.351  -7.728  -3.134
    6    HG3  ARG  24           HG3      ARG  24   6.342  -8.003  -4.555
    7    HD2  ARG  24           HD2      ARG  24   8.759  -7.740  -5.721
    8    HD3  ARG  24           HD3      ARG  24   9.235  -8.423  -4.167
    9    HE   ARG  24           HE       ARG  24   8.293 -10.418  -4.788
   10   HH11  ARG  24          HH11      ARG  24   7.211  -7.920  -6.973
   11   HH12  ARG  24          HH12      ARG  24   6.461  -9.031  -8.069
   12   HH21  ARG  24          HH21      ARG  24   7.307 -11.880  -6.229
   13   HH22  ARG  24          HH22      ARG  24   6.515 -11.279  -7.647

  No H/Q in entry =          13
  In of MODEL   40
    1    H    THR  25           H        THR  25  11.145  -5.338  -4.032
    2    HA   THR  25           HA       THR  25  11.418  -5.346  -6.965
    3    HB   THR  25           HB       THR  25  13.449  -4.073  -6.726
    4    HG1  THR  25           HG1      THR  25  13.044  -4.416  -3.945
    5   HG23  THR  25          HG21      THR  25  12.695  -2.006  -5.760
    6   HG22  THR  25          HG22      THR  25  11.403  -2.842  -4.899
    7   HG21  THR  25          HG23      THR  25  11.376  -2.754  -6.660

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  26           H        SER  26  12.774  -6.528  -3.933
    2    HA   SER  26           HA       SER  26  13.369  -9.075  -4.902
    3    HB2  SER  26           HB2      SER  26  15.156  -7.397  -6.011
    4    HB3  SER  26           HB3      SER  26  15.987  -7.736  -4.493
    5    HG   SER  26           HG       SER  26  16.602  -9.487  -5.473

  No H/Q in entry =           5
  In of MODEL   40
    1    H    VAL  27           H        VAL  27  14.321  -6.518  -2.679
    2    HA   VAL  27           HA       VAL  27  14.639  -8.539  -0.558
    3    HB   VAL  27           HB       VAL  27  15.675  -5.707  -0.481
    4   HG12  VAL  27          HG11      VAL  27  17.199  -6.792   1.254
    5   HG11  VAL  27          HG12      VAL  27  16.067  -8.144   1.230
    6   HG13  VAL  27          HG13      VAL  27  15.514  -6.539   1.707
    7   HG21  VAL  27          HG21      VAL  27  16.959  -8.219  -1.501
    8   HG23  VAL  27          HG22      VAL  27  17.924  -6.895  -0.849
    9   HG22  VAL  27          HG23      VAL  27  16.889  -6.624  -2.251

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  28           H        SER  28  13.098  -5.519  -1.454
    2    HA   SER  28           HA       SER  28  11.788  -5.241   1.114
    3    HB2  SER  28           HB2      SER  28  12.106  -3.601  -1.313
    4    HB3  SER  28           HB3      SER  28  10.538  -3.442  -0.521
    5    HG   SER  28           HG       SER  28  11.595  -2.866   1.376

  No H/Q in entry =           5
  In of MODEL   40
    1    H    SER  29           H        SER  29   9.583  -5.463   1.501
    2    HA   SER  29           HA       SER  29   7.736  -6.244  -0.529
    3    HB2  SER  29           HB2      SER  29   9.140  -8.347  -0.090
    4    HB3  SER  29           HB3      SER  29   8.354  -8.400   1.488
    5    HG   SER  29           HG       SER  29   6.379  -8.623   0.472

  No H/Q in entry =           5
  In of MODEL   40
    1    H    HIS  30           H        HIS  30   6.812  -4.369   0.554
    2    HA   HIS  30           HA       HIS  30   5.654  -4.945   3.189
    3    HB2  HIS  30           HB2      HIS  30   5.845  -2.326   1.686
    4    HB3  HIS  30           HB3      HIS  30   5.183  -2.530   3.304
    5    HD1  HIS  30           HD1      HIS  30   6.810  -1.571   4.894
    6    HD2  HIS  30           HD2      HIS  30   8.690  -3.699   1.860
    7    HE1  HIS  30           HE1      HIS  30   9.261  -1.515   5.452
    8    HE2  HIS  30           HE2      HIS  30  10.387  -2.736   3.558

  No H/Q in entry =           8
  In of MODEL   40
    1    H    TYR  31           H        TYR  31   3.810  -6.064   2.896
    2    HA   TYR  31           HA       TYR  31   2.032  -5.576   0.701
    3    HB2  TYR  31           HB2      TYR  31   1.815  -7.283   3.182
    4    HB3  TYR  31           HB3      TYR  31   0.531  -7.176   1.982
    5    HD1  TYR  31           HD1      TYR  31   3.039  -9.221   3.025
    6    HD2  TYR  31           HD2      TYR  31   1.652  -7.393  -0.557
    7    HE1  TYR  31           HE1      TYR  31   4.133 -10.986   1.708
    8    HE2  TYR  31           HE2      TYR  31   2.741  -9.153  -1.884
    9    HH   TYR  31           HH       TYR  31   3.466 -11.586  -1.475

  No H/Q in entry =           9
  In of MODEL   40
    1    H    CYS  32           H        CYS  32   0.035  -4.586   0.712
    2    HA   CYS  32           HA       CYS  32  -0.330  -2.554   2.735
    3    HB2  CYS  32           HB2      CYS  32  -1.372  -3.096   0.023
    4    HB3  CYS  32           HB3      CYS  32  -2.490  -2.284   1.113

  No H/Q in entry =           4
  In of MODEL   40
    1    H    THR  33           H        THR  33  -2.096  -2.333   4.096
    2    HA   THR  33           HA       THR  33  -3.586  -4.818   4.573
    3    HB   THR  33           HB       THR  33  -3.829  -4.158   6.829
    4    HG1  THR  33           HG1      THR  33  -2.957  -1.582   6.029
    5   HG22  THR  33          HG21      THR  33  -1.244  -2.877   6.775
    6   HG21  THR  33          HG22      THR  33  -1.285  -4.321   5.763
    7   HG23  THR  33          HG23      THR  33  -1.727  -4.425   7.467

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY  34           H        GLY  34  -4.200  -2.646   2.565
    2    HA3  GLY  34           HA2      GLY  34  -6.031  -1.506   1.775
    3    HA2  GLY  34           HA3      GLY  34  -6.961  -2.723   2.636

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ARG  35           H        ARG  35  -4.820  -0.564   4.336
    2    HA   ARG  35           HA       ARG  35  -7.168   0.878   5.376
    3    HB2  ARG  35           HB2      ARG  35  -4.772  -0.242   6.778
    4    HB3  ARG  35           HB3      ARG  35  -5.596   1.159   7.448
    5    HG2  ARG  35           HG2      ARG  35  -7.072  -1.357   6.753
    6    HG3  ARG  35           HG3      ARG  35  -6.273  -1.139   8.311
    7    HD2  ARG  35           HD2      ARG  35  -8.259  -0.275   8.924
    8    HD3  ARG  35           HD3      ARG  35  -7.646   1.178   8.136
    9    HE   ARG  35           HE       ARG  35  -9.022  -0.564   6.331
   10   HH11  ARG  35          HH11      ARG  35  -9.454   1.936   8.727
   11   HH12  ARG  35          HH12      ARG  35 -10.973   2.463   8.084
   12   HH21  ARG  35          HH21      ARG  35 -11.020   0.128   5.484
   13   HH22  ARG  35          HH22      ARG  35 -11.862   1.437   6.244

  No H/Q in entry =          13
  In of MODEL   40
    1    H    SER  36           H        SER  36  -3.647   1.266   5.576
    2    HA   SER  36           HA       SER  36  -3.987   4.105   4.922
    3    HB2  SER  36           HB2      SER  36  -2.752   3.299   7.037
    4    HB3  SER  36           HB3      SER  36  -1.446   2.846   5.942
    5    HG   SER  36           HG       SER  36  -1.644   5.114   5.174

  No H/Q in entry =           5
  In of MODEL   40
    1    H    CYS  37           H        CYS  37  -2.780   5.101   3.303
    2    HA   CYS  37           HA       CYS  37  -2.164   3.452   1.057
    3    HB2  CYS  37           HB2      CYS  37  -1.417   6.357   1.314
    4    HB3  CYS  37           HB3      CYS  37  -1.817   5.455  -0.143

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLU  38           H        GLU  38  -0.366   4.575   3.736
    2    HA   GLU  38           HA       GLU  38   2.197   4.317   2.370
    3    HB2  GLU  38           HB2      GLU  38   1.574   5.017   5.245
    4    HB3  GLU  38           HB3      GLU  38   3.168   5.061   4.505
    5    HG2  GLU  38           HG2      GLU  38   0.918   6.677   3.380
    6    HG3  GLU  38           HG3      GLU  38   1.842   7.252   4.767

  No H/Q in entry =           6
  In of MODEL   40
    1    H    CYS  39           H        CYS  39   2.967   2.330   2.113
    2    HA   CYS  39           HA       CYS  39   2.136   0.066   3.544
    3    HB2  CYS  39           HB2      CYS  39   4.308   0.685   1.615
    4    HB3  CYS  39           HB3      CYS  39   4.498  -0.770   2.587

  No H/Q in entry =           4
  In of MODEL   40
    1    HA   PRO  40           HA       PRO  40   4.532   1.010   7.261
    2    HB2  PRO  40           HB2      PRO  40   3.535  -1.035   8.750
    3    HB3  PRO  40           HB3      PRO  40   2.669   0.485   8.497
    4    HG2  PRO  40           HG2      PRO  40   2.328  -2.144   7.105
    5    HG3  PRO  40           HG3      PRO  40   1.088  -1.023   7.699
    6    HD2  PRO  40           HD2      PRO  40   1.799  -1.144   5.095
    7    HD3  PRO  40           HD3      PRO  40   1.293   0.371   5.871

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  41           H        SER  41   5.851  -0.464   8.783
    2    HA   SER  41           HA       SER  41   7.586  -2.069   7.108
    3    HB2  SER  41           HB2      SER  41   8.002  -1.740  10.058
    4    HB3  SER  41           HB3      SER  41   9.197  -1.836   8.765
    5    HG   SER  41           HG       SER  41   7.634   0.347   9.590

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  42           H        TYR  42   5.409  -3.465   7.036
    2    HA   TYR  42           HA       TYR  42   5.689  -5.572   9.079
    3    HB2  TYR  42           HB2      TYR  42   3.311  -4.363   7.777
    4    HB3  TYR  42           HB3      TYR  42   3.260  -6.101   8.051
    5    HD1  TYR  42           HD1      TYR  42   3.093  -7.003  10.277
    6    HD2  TYR  42           HD2      TYR  42   3.433  -2.806   9.671
    7    HE1  TYR  42           HE1      TYR  42   2.442  -6.618  12.617
    8    HE2  TYR  42           HE2      TYR  42   2.784  -2.409  12.009
    9    HH   TYR  42           HH       TYR  42   1.270  -4.436  13.867

  No H/Q in entry =           9
  In of MODEL   40
    1    HA   PRO  43           HA       PRO  43   7.343  -7.346   5.108
    2    HB2  PRO  43           HB2      PRO  43   8.390  -9.193   7.201
    3    HB3  PRO  43           HB3      PRO  43   9.211  -8.502   5.796
    4    HG2  PRO  43           HG2      PRO  43   9.687  -7.562   8.239
    5    HG3  PRO  43           HG3      PRO  43   9.583  -6.468   6.848
    6    HD2  PRO  43           HD2      PRO  43   7.596  -6.973   9.016
    7    HD3  PRO  43           HD3      PRO  43   7.978  -5.464   8.163

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY  44           H        GLY  44   6.890  -9.370   4.108
    2    HA3  GLY  44           HA2      GLY  44   5.244 -11.304   5.501
    3    HA2  GLY  44           HA3      GLY  44   4.398 -10.382   4.267

  No H/Q in entry =           3
  In of MODEL   41
    1    H1   ALA   1           H3       ALA   1 -14.691  16.113   0.516
    2    H2   ALA   1           H2       ALA   1 -14.651  16.373   2.212
    3    H3   ALA   1           H1       ALA   1 -14.392  17.683   1.134
    4    HA   ALA   1           HA       ALA   1 -12.369  16.834   0.420
    5    HB3  ALA   1           HB1      ALA   1 -11.084  16.958   2.425
    6    HB2  ALA   1           HB2      ALA   1 -12.463  16.463   3.407
    7    HB1  ALA   1           HB3      ALA   1 -12.468  18.036   2.610

  No H/Q in entry =           7
  In of MODEL   41
    1    H    MET   2           H        MET   2 -13.796  14.591   2.791
    2    HA   MET   2           HA       MET   2 -13.638  12.336   3.042
    3    HB2  MET   2           HB2      MET   2 -13.289  12.732   0.113
    4    HB3  MET   2           HB3      MET   2 -12.900  11.148   0.769
    5    HG2  MET   2           HG2      MET   2 -15.050  10.642   1.194
    6    HG3  MET   2           HG3      MET   2 -15.469  12.297   1.630
    7    HE2  MET   2           HE1      MET   2 -18.010  12.358  -1.114
    8    HE1  MET   2           HE2      MET   2 -17.552  12.746   0.545
    9    HE3  MET   2           HE3      MET   2 -17.792  11.065   0.066

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ASP   3           H        ASP   3 -12.000  10.388   2.385
    2    HA   ASP   3           HA       ASP   3  -9.286  11.416   2.899
    3    HB2  ASP   3           HB2      ASP   3  -8.949   9.255   4.198
    4    HB3  ASP   3           HB3      ASP   3 -10.000  10.453   4.948

  No H/Q in entry =           4
  In of MODEL   41
    1    H    CYS   4           H        CYS   4  -8.010  11.015   1.227
    2    HA   CYS   4           HA       CYS   4  -8.497   8.601  -0.382
    3    HB2  CYS   4           HB2      CYS   4  -7.205  11.239  -1.075
    4    HB3  CYS   4           HB3      CYS   4  -7.093   9.822  -2.114

  No H/Q in entry =           4
  In of MODEL   41
    1    H    THR   5           H        THR   5  -6.143  10.329   1.512
    2    HA   THR   5           HA       THR   5  -3.957   9.918   2.047
    3    HB   THR   5           HB       THR   5  -4.994   8.347   3.512
    4    HG1  THR   5           HG1      THR   5  -2.768   8.071   3.375
    5   HG23  THR   5          HG21      THR   5  -6.463   7.145   2.053
    6   HG22  THR   5          HG22      THR   5  -5.398   6.000   2.869
    7   HG21  THR   5          HG23      THR   5  -5.096   6.442   1.189

  No H/Q in entry =           7
  In of MODEL   41
    1    H    THR   6           H        THR   6  -3.324  10.511  -0.186
    2    HA   THR   6           HA       THR   6  -2.845   8.654  -2.214
    3    HB   THR   6           HB       THR   6  -1.186  10.327  -3.060
    4    HG1  THR   6           HG1      THR   6  -1.905  11.798  -0.750
    5   HG22  THR   6          HG21      THR   6  -3.565  11.873  -2.151
    6   HG21  THR   6          HG22      THR   6  -3.757  10.543  -3.293
    7   HG23  THR   6          HG23      THR   6  -2.721  11.911  -3.699

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLY   7           H        GLY   7  -1.355   7.123  -2.522
    2    HA3  GLY   7           HA2      GLY   7   1.306   7.193  -1.688
    3    HA2  GLY   7           HA3      GLY   7   0.398   6.347  -0.445

  No H/Q in entry =           3
  In of MODEL   41
    1    HA   PRO   8           HA       PRO   8   1.484   3.396  -3.930
    2    HB2  PRO   8           HB2      PRO   8   3.379   1.919  -2.738
    3    HB3  PRO   8           HB3      PRO   8   3.762   3.454  -3.527
    4    HG2  PRO   8           HG2      PRO   8   3.383   2.861  -0.619
    5    HG3  PRO   8           HG3      PRO   8   4.606   3.876  -1.403
    6    HD2  PRO   8           HD2      PRO   8   2.336   4.852  -0.206
    7    HD3  PRO   8           HD3      PRO   8   3.208   5.684  -1.509

  No H/Q in entry =           7
  In of MODEL   41
    1    H    CYS   9           H        CYS   9  -0.783   3.220  -2.474
    2    HA   CYS   9           HA       CYS   9  -1.190   0.446  -2.227
    3    HB2  CYS   9           HB2      CYS   9  -0.379   1.865   0.209
    4    HB3  CYS   9           HB3      CYS   9  -1.877   0.958   0.388

  No H/Q in entry =           4
  In of MODEL   41
    1    H    CYS  10           H        CYS  10  -2.396   2.709  -3.492
    2    HA   CYS  10           HA       CYS  10  -5.118   2.153  -2.963
    3    HB2  CYS  10           HB2      CYS  10  -5.814   4.404  -2.197
    4    HB3  CYS  10           HB3      CYS  10  -4.800   3.575  -1.021

  No H/Q in entry =           4
  In of MODEL   41
    1    H    ARG  11           H        ARG  11  -5.800   2.096  -4.994
    2    HA   ARG  11           HA       ARG  11  -4.626   3.424  -7.154
    3    HB2  ARG  11           HB2      ARG  11  -6.502   1.464  -6.880
    4    HB3  ARG  11           HB3      ARG  11  -7.491   2.805  -7.441
    5    HG2  ARG  11           HG2      ARG  11  -5.020   1.785  -8.827
    6    HG3  ARG  11           HG3      ARG  11  -6.679   1.378  -9.271
    7    HD2  ARG  11           HD2      ARG  11  -7.149   3.557  -9.973
    8    HD3  ARG  11           HD3      ARG  11  -5.766   4.230  -9.110
    9    HE   ARG  11           HE       ARG  11  -4.613   2.593 -10.922
   10   HH11  ARG  11          HH11      ARG  11  -6.991   5.134 -11.190
   11   HH12  ARG  11          HH12      ARG  11  -6.512   5.583 -12.793
   12   HH21  ARG  11          HH21      ARG  11  -3.982   3.183 -13.029
   13   HH22  ARG  11          HH22      ARG  11  -4.805   4.475 -13.837

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  12           H        GLN  12  -4.388   5.614  -6.660
    2    HA   GLN  12           HA       GLN  12  -4.943   7.813  -6.811
    3    HB2  GLN  12           HB2      GLN  12  -7.712   6.939  -7.625
    4    HB3  GLN  12           HB3      GLN  12  -6.940   8.485  -7.948
    5    HG2  GLN  12           HG2      GLN  12  -5.197   6.737  -9.103
    6    HG3  GLN  12           HG3      GLN  12  -6.749   5.948  -9.381
    7   HE21  GLN  12          HE21      GLN  12  -8.120   6.765 -10.867
    8   HE22  GLN  12          HE22      GLN  12  -7.789   8.154 -11.839

  No H/Q in entry =           8
  In of MODEL   41
    1    H    CYS  13           H        CYS  13  -7.992   6.319  -5.771
    2    HA   CYS  13           HA       CYS  13  -7.675   7.420  -3.106
    3    HB2  CYS  13           HB2      CYS  13  -8.701   9.259  -4.435
    4    HB3  CYS  13           HB3      CYS  13 -10.052   8.196  -4.809

  No H/Q in entry =           4
  In of MODEL   41
    1    H    LYS  14           H        LYS  14  -7.667   4.778  -3.830
    2    HA   LYS  14           HA       LYS  14 -10.054   3.828  -2.463
    3    HB2  LYS  14           HB2      LYS  14  -9.227   2.925  -5.219
    4    HB3  LYS  14           HB3      LYS  14 -10.266   1.961  -4.179
    5    HG2  LYS  14           HG2      LYS  14 -11.582   4.297  -4.089
    6    HG3  LYS  14           HG3      LYS  14 -10.850   4.422  -5.690
    7    HD2  LYS  14           HD2      LYS  14 -12.671   3.267  -6.343
    8    HD3  LYS  14           HD3      LYS  14 -11.765   1.873  -5.749
    9    HE2  LYS  14           HE2      LYS  14 -13.824   3.465  -4.224
   10    HE3  LYS  14           HE3      LYS  14 -14.026   1.838  -4.874
   11    HZ2  LYS  14           HZ1      LYS  14 -13.492   1.997  -2.439
   12    HZ1  LYS  14           HZ2      LYS  14 -11.942   2.511  -2.880
   13    HZ3  LYS  14           HZ3      LYS  14 -12.486   0.976  -3.339

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU  15           H        LEU  15  -9.379   2.571  -0.865
    2    HA   LEU  15           HA       LEU  15  -6.806   1.755  -0.378
    3    HB2  LEU  15           HB2      LEU  15  -9.427   0.558   0.490
    4    HB3  LEU  15           HB3      LEU  15  -7.889  -0.051   1.070
    5    HG   LEU  15           HG       LEU  15  -8.992   2.725   1.497
    6   HD13  LEU  15          HD11      LEU  15 -10.087   1.208   2.942
    7   HD12  LEU  15          HD12      LEU  15  -8.832   1.991   3.903
    8   HD11  LEU  15          HD13      LEU  15  -8.586   0.353   3.299
    9   HD21  LEU  15          HD21      LEU  15  -6.336   1.516   2.245
   10   HD23  LEU  15          HD22      LEU  15  -6.979   2.996   2.956
   11   HD22  LEU  15          HD23      LEU  15  -6.629   2.927   1.229

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS  16           H        LYS  16  -5.552   0.628  -1.724
    2    HA   LYS  16           HA       LYS  16  -6.313  -1.093  -3.729
    3    HB2  LYS  16           HB2      LYS  16  -3.893  -0.239  -2.600
    4    HB3  LYS  16           HB3      LYS  16  -3.832  -1.994  -2.539
    5    HG2  LYS  16           HG2      LYS  16  -3.832  -2.213  -4.815
    6    HG3  LYS  16           HG3      LYS  16  -4.679  -0.687  -5.072
    7    HD2  LYS  16           HD2      LYS  16  -2.046  -0.407  -3.815
    8    HD3  LYS  16           HD3      LYS  16  -2.002  -1.083  -5.445
    9    HE2  LYS  16           HE2      LYS  16  -3.692   1.315  -4.936
   10    HE3  LYS  16           HE3      LYS  16  -1.943   1.521  -5.034
   11    HZ2  LYS  16           HZ1      LYS  16  -3.833   0.674  -7.118
   12    HZ1  LYS  16           HZ2      LYS  16  -2.230   0.139  -7.197
   13    HZ3  LYS  16           HZ3      LYS  16  -2.568   1.796  -7.206

  No H/Q in entry =          13
  In of MODEL   41
    1    HA   PRO  17           HA       PRO  17  -7.870  -4.835  -2.001
    2    HB2  PRO  17           HB2      PRO  17  -6.421  -6.653  -3.562
    3    HB3  PRO  17           HB3      PRO  17  -7.984  -5.946  -3.975
    4    HG2  PRO  17           HG2      PRO  17  -5.250  -5.147  -4.851
    5    HG3  PRO  17           HG3      PRO  17  -6.773  -5.128  -5.758
    6    HD2  PRO  17           HD2      PRO  17  -5.703  -2.872  -4.798
    7    HD3  PRO  17           HD3      PRO  17  -7.462  -3.126  -4.799

  No H/Q in entry =           7
  In of MODEL   41
    1    H    ALA  18           H        ALA  18  -7.333  -5.780  -0.148
    2    HA   ALA  18           HA       ALA  18  -4.875  -5.620   1.093
    3    HB2  ALA  18           HB1      ALA  18  -5.720  -7.494   2.553
    4    HB3  ALA  18           HB2      ALA  18  -7.131  -7.568   1.498
    5    HB1  ALA  18           HB3      ALA  18  -6.786  -6.097   2.407

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  19           H        GLY  19  -2.980  -6.469   0.569
    2    HA3  GLY  19           HA2      GLY  19  -1.660  -8.521   0.459
    3    HA2  GLY  19           HA3      GLY  19  -2.932  -9.205  -0.542

  No H/Q in entry =           3
  In of MODEL   41
    1    H    THR  20           H        THR  20  -1.962  -5.919  -1.057
    2    HA   THR  20           HA       THR  20  -0.656  -6.747  -3.563
    3    HB   THR  20           HB       THR  20  -2.038  -4.137  -2.911
    4    HG1  THR  20           HG1      THR  20  -2.857  -6.204  -4.665
    5   HG23  THR  20          HG21      THR  20  -1.755  -3.468  -5.127
    6   HG22  THR  20          HG22      THR  20  -1.218  -5.069  -5.635
    7   HG21  THR  20          HG23      THR  20  -0.171  -4.064  -4.632

  No H/Q in entry =           7
  In of MODEL   41
    1    H    THR  21           H        THR  21   1.453  -6.401  -3.724
    2    HA   THR  21           HA       THR  21   2.998  -5.243  -1.699
    3    HB   THR  21           HB       THR  21   4.528  -5.079  -4.043
    4    HG1  THR  21           HG1      THR  21   3.301  -6.198  -5.365
    5   HG23  THR  21          HG21      THR  21   5.339  -6.023  -1.970
    6   HG22  THR  21          HG22      THR  21   5.552  -7.164  -3.297
    7   HG21  THR  21          HG23      THR  21   4.239  -7.390  -2.142

  No H/Q in entry =           7
  In of MODEL   41
    1    H    CYS  22           H        CYS  22   4.293  -3.324  -1.721
    2    HA   CYS  22           HA       CYS  22   3.171  -1.163  -3.380
    3    HB2  CYS  22           HB2      CYS  22   3.623   0.359  -1.439
    4    HB3  CYS  22           HB3      CYS  22   2.364  -0.836  -1.143

  No H/Q in entry =           4
  In of MODEL   41
    1    H    TRP  23           H        TRP  23   5.999  -2.304  -1.579
    2    HA   TRP  23           HA       TRP  23   7.695  -0.838  -3.483
    3    HB2  TRP  23           HB2      TRP  23   7.654   0.364  -1.322
    4    HB3  TRP  23           HB3      TRP  23   8.213  -1.097  -0.513
    5    HD1  TRP  23           HD1      TRP  23   9.569   0.649  -3.711
    6    HE1  TRP  23           HE1      TRP  23  12.090   1.050  -3.378
    7    HE3  TRP  23           HE3      TRP  23  10.055  -1.143   1.053
    8    HZ2  TRP  23           HZ2      TRP  23  14.028   0.658  -1.363
    9    HZ3  TRP  23           HZ3      TRP  23  12.276  -1.095   2.110
   10    HH2  TRP  23           HH2      TRP  23  14.221  -0.213   0.926

  No H/Q in entry =          10
  In of MODEL   41
    1    H    ARG  24           H        ARG  24   9.339  -1.978  -4.337
    2    HA   ARG  24           HA       ARG  24  10.658  -4.131  -3.098
    3    HB2  ARG  24           HB2      ARG  24   9.805  -6.013  -4.391
    4    HB3  ARG  24           HB3      ARG  24   8.515  -5.284  -3.444
    5    HG2  ARG  24           HG2      ARG  24   8.115  -3.936  -5.679
    6    HG3  ARG  24           HG3      ARG  24   8.913  -5.344  -6.383
    7    HD2  ARG  24           HD2      ARG  24   6.517  -5.452  -4.554
    8    HD3  ARG  24           HD3      ARG  24   6.446  -5.547  -6.313
    9    HE   ARG  24           HE       ARG  24   7.157  -7.642  -4.504
   10   HH11  ARG  24          HH11      ARG  24   7.677  -6.409  -7.727
   11   HH12  ARG  24          HH12      ARG  24   8.093  -7.955  -8.387
   12   HH21  ARG  24          HH21      ARG  24   7.704  -9.676  -5.370
   13   HH22  ARG  24          HH22      ARG  24   8.108  -9.810  -7.049

  No H/Q in entry =          13
  In of MODEL   41
    1    H    THR  25           H        THR  25  12.611  -3.931  -3.950
    2    HA   THR  25           HA       THR  25  12.855  -3.143  -6.772
    3    HB   THR  25           HB       THR  25  13.946  -1.557  -5.376
    4    HG1  THR  25           HG1      THR  25  15.179  -2.319  -7.192
    5   HG23  THR  25          HG21      THR  25  14.249  -2.477  -3.286
    6   HG22  THR  25          HG22      THR  25  15.897  -2.390  -3.908
    7   HG21  THR  25          HG23      THR  25  15.029  -3.925  -3.921

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  26           H        SER  26  13.817  -5.526  -4.394
    2    HA   SER  26           HA       SER  26  14.214  -7.556  -6.279
    3    HB2  SER  26           HB2      SER  26  16.806  -7.718  -5.679
    4    HB3  SER  26           HB3      SER  26  16.233  -6.793  -7.066
    5    HG   SER  26           HG       SER  26  17.749  -5.735  -5.526

  No H/Q in entry =           5
  In of MODEL   41
    1    H    VAL  27           H        VAL  27  15.151  -6.280  -3.134
    2    HA   VAL  27           HA       VAL  27  14.933  -8.994  -2.012
    3    HB   VAL  27           HB       VAL  27  16.249  -6.608  -0.714
    4   HG13  VAL  27          HG11      VAL  27  17.012  -8.063   0.930
    5   HG12  VAL  27          HG12      VAL  27  16.722  -9.492  -0.062
    6   HG11  VAL  27          HG13      VAL  27  15.363  -8.616   0.641
    7   HG21  VAL  27          HG21      VAL  27  17.380  -7.273  -2.823
    8   HG23  VAL  27          HG22      VAL  27  17.596  -8.890  -2.153
    9   HG22  VAL  27          HG23      VAL  27  18.376  -7.506  -1.386

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  28           H        SER  28  13.792  -5.696  -1.788
    2    HA   SER  28           HA       SER  28  12.311  -6.069   0.630
    3    HB2  SER  28           HB2      SER  28  13.167  -3.856  -0.453
    4    HB3  SER  28           HB3      SER  28  11.674  -3.936  -1.387
    5    HG   SER  28           HG       SER  28  10.553  -4.051   0.636

  No H/Q in entry =           5
  In of MODEL   41
    1    H    SER  29           H        SER  29  10.060  -6.240   0.878
    2    HA   SER  29           HA       SER  29   8.234  -6.444  -1.261
    3    HB2  SER  29           HB2      SER  29   9.417  -8.526  -1.760
    4    HB3  SER  29           HB3      SER  29   9.173  -9.081  -0.104
    5    HG   SER  29           HG       SER  29   7.612  -9.961  -1.505

  No H/Q in entry =           5
  In of MODEL   41
    1    H    HIS  30           H        HIS  30   6.718  -5.387  -0.119
    2    HA   HIS  30           HA       HIS  30   5.740  -6.680   2.335
    3    HB2  HIS  30           HB2      HIS  30   5.800  -3.687   1.952
    4    HB3  HIS  30           HB3      HIS  30   5.430  -4.579   3.423
    5    HD1  HIS  30           HD1      HIS  30   7.272  -4.222   5.023
    6    HD2  HIS  30           HD2      HIS  30   8.676  -4.678   1.138
    7    HE1  HIS  30           HE1      HIS  30   9.779  -4.135   5.199
    8    HE2  HIS  30           HE2      HIS  30  10.604  -4.326   2.826

  No H/Q in entry =           8
  In of MODEL   41
    1    H    TYR  31           H        TYR  31   3.656  -7.184   2.242
    2    HA   TYR  31           HA       TYR  31   2.033  -6.058   0.086
    3    HB2  TYR  31           HB2      TYR  31   1.582  -8.440   1.893
    4    HB3  TYR  31           HB3      TYR  31   0.452  -7.908   0.652
    5    HD1  TYR  31           HD1      TYR  31   3.444  -9.787   1.350
    6    HD2  TYR  31           HD2      TYR  31   1.181  -7.966  -1.758
    7    HE1  TYR  31           HE1      TYR  31   4.642 -11.148  -0.311
    8    HE2  TYR  31           HE2      TYR  31   2.371  -9.323  -3.428
    9    HH   TYR  31           HH       TYR  31   3.612 -11.511  -3.478

  No H/Q in entry =           9
  In of MODEL   41
    1    H    CYS  32           H        CYS  32   0.235  -4.852   0.414
    2    HA   CYS  32           HA       CYS  32  -0.091  -3.595   2.958
    3    HB2  CYS  32           HB2      CYS  32  -0.927  -3.121   0.257
    4    HB3  CYS  32           HB3      CYS  32  -2.332  -3.027   1.313

  No H/Q in entry =           4
  In of MODEL   41
    1    H    THR  33           H        THR  33  -2.417  -3.328   3.832
    2    HA   THR  33           HA       THR  33  -3.604  -6.016   4.044
    3    HB   THR  33           HB       THR  33  -2.727  -5.414   6.163
    4    HG1  THR  33           HG1      THR  33  -5.456  -4.670   6.271
    5   HG23  THR  33          HG21      THR  33  -2.307  -3.099   6.006
    6   HG22  THR  33          HG22      THR  33  -3.459  -3.314   7.325
    7   HG21  THR  33          HG23      THR  33  -4.014  -2.735   5.755

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLY  34           H        GLY  34  -4.175  -3.565   2.230
    2    HA3  GLY  34           HA2      GLY  34  -6.017  -2.548   1.314
    3    HA2  GLY  34           HA3      GLY  34  -6.883  -3.985   1.835

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ARG  35           H        ARG  35  -5.336  -1.969   4.197
    2    HA   ARG  35           HA       ARG  35  -7.992  -1.053   5.078
    3    HB2  ARG  35           HB2      ARG  35  -5.488  -1.696   6.626
    4    HB3  ARG  35           HB3      ARG  35  -6.816  -0.786   7.330
    5    HG2  ARG  35           HG2      ARG  35  -7.128  -3.529   6.137
    6    HG3  ARG  35           HG3      ARG  35  -6.808  -3.230   7.846
    7    HD2  ARG  35           HD2      ARG  35  -9.113  -1.902   6.469
    8    HD3  ARG  35           HD3      ARG  35  -9.251  -3.560   7.049
    9    HE   ARG  35           HE       ARG  35  -9.167  -2.791   9.237
   10   HH11  ARG  35          HH11      ARG  35  -8.677  -0.153   6.998
   11   HH12  ARG  35          HH12      ARG  35  -8.926   1.070   8.197
   12   HH21  ARG  35          HH21      ARG  35  -9.491  -1.180  10.809
   13   HH22  ARG  35          HH22      ARG  35  -9.385   0.489  10.358

  No H/Q in entry =          13
  In of MODEL   41
    1    H    SER  36           H        SER  36  -4.696  -0.092   4.401
    2    HA   SER  36           HA       SER  36  -5.561   2.696   4.326
    3    HB2  SER  36           HB2      SER  36  -3.437   1.582   6.115
    4    HB3  SER  36           HB3      SER  36  -3.217   3.194   5.434
    5    HG   SER  36           HG       SER  36  -4.889   3.926   6.569

  No H/Q in entry =           5
  In of MODEL   41
    1    H    CYS  37           H        CYS  37  -3.674   4.085   3.436
    2    HA   CYS  37           HA       CYS  37  -2.577   2.639   1.130
    3    HB2  CYS  37           HB2      CYS  37  -4.091   4.604   0.733
    4    HB3  CYS  37           HB3      CYS  37  -2.863   5.627   1.470

  No H/Q in entry =           4
  In of MODEL   41
    1    H    GLU  38           H        GLU  38  -1.470   3.011   3.988
    2    HA   GLU  38           HA       GLU  38   1.194   3.946   3.145
    3    HB2  GLU  38           HB2      GLU  38  -0.043   5.437   4.798
    4    HB3  GLU  38           HB3      GLU  38   0.131   4.130   5.962
    5    HG2  GLU  38           HG2      GLU  38   2.402   4.410   6.146
    6    HG3  GLU  38           HG3      GLU  38   2.547   5.154   4.554

  No H/Q in entry =           6
  In of MODEL   41
    1    H    CYS  39           H        CYS  39   2.297   2.108   2.812
    2    HA   CYS  39           HA       CYS  39   1.869  -0.341   4.092
    3    HB2  CYS  39           HB2      CYS  39   4.008   0.826   2.399
    4    HB3  CYS  39           HB3      CYS  39   4.447  -0.585   3.356

  No H/Q in entry =           4
  In of MODEL   41
    1    HA   PRO  40           HA       PRO  40   3.778   0.169   8.041
    2    HB2  PRO  40           HB2      PRO  40   4.471  -2.389   8.598
    3    HB3  PRO  40           HB3      PRO  40   2.794  -1.831   8.614
    4    HG2  PRO  40           HG2      PRO  40   4.276  -3.314   6.477
    5    HG3  PRO  40           HG3      PRO  40   2.630  -3.575   7.084
    6    HD2  PRO  40           HD2      PRO  40   3.150  -2.238   4.782
    7    HD3  PRO  40           HD3      PRO  40   1.756  -1.864   5.815

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  41           H        SER  41   5.831  -0.574   9.260
    2    HA   SER  41           HA       SER  41   8.095  -0.032   7.507
    3    HB2  SER  41           HB2      SER  41   7.796  -0.053  10.514
    4    HB3  SER  41           HB3      SER  41   9.339   0.203   9.699
    5    HG   SER  41           HG       SER  41   7.629   2.034  10.285

  No H/Q in entry =           5
  In of MODEL   41
    1    H    TYR  42           H        TYR  42   6.798  -2.568   9.529
    2    HA   TYR  42           HA       TYR  42   9.170  -4.193   9.421
    3    HB2  TYR  42           HB2      TYR  42   7.640  -5.947  10.407
    4    HB3  TYR  42           HB3      TYR  42   7.792  -4.467  11.348
    5    HD1  TYR  42           HD1      TYR  42   5.908  -3.050  11.734
    6    HD2  TYR  42           HD2      TYR  42   5.570  -6.388   9.117
    7    HE1  TYR  42           HE1      TYR  42   3.462  -2.795  11.733
    8    HE2  TYR  42           HE2      TYR  42   3.124  -6.141   9.109
    9    HH   TYR  42           HH       TYR  42   1.499  -3.890   9.602

  No H/Q in entry =           9
  In of MODEL   41
    1    HA   PRO  43           HA       PRO  43   8.758  -6.349   5.612
    2    HB2  PRO  43           HB2      PRO  43   8.849  -8.873   7.197
    3    HB3  PRO  43           HB3      PRO  43   9.836  -8.373   5.819
    4    HG2  PRO  43           HG2      PRO  43  10.832  -8.323   8.285
    5    HG3  PRO  43           HG3      PRO  43  11.218  -7.042   7.122
    6    HD2  PRO  43           HD2      PRO  43   9.350  -6.993   9.448
    7    HD3  PRO  43           HD3      PRO  43  10.388  -5.704   8.806

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLY  44           H        GLY  44   7.269  -7.510   4.351
    2    HA3  GLY  44           HA2      GLY  44   4.606  -7.634   5.494
    3    HA2  GLY  44           HA3      GLY  44   5.028  -7.843   3.801

  No H/Q in entry =           3
  In of MODEL   42
    1    H1   ALA   1           H1       ALA   1 -10.257   5.413   5.084
    2    H2   ALA   1           H3       ALA   1 -11.045   4.058   5.778
    3    H3   ALA   1           H2       ALA   1 -11.566   4.668   4.261
    4    HA   ALA   1           HA       ALA   1 -13.114   5.451   5.704
    5    HB2  ALA   1           HB1      ALA   1 -12.723   6.195   7.893
    6    HB1  ALA   1           HB2      ALA   1 -10.996   6.406   7.606
    7    HB3  ALA   1           HB3      ALA   1 -11.682   4.784   7.704

  No H/Q in entry =           7
  In of MODEL   42
    1    H    MET   2           H        MET   2 -13.269   6.803   3.855
    2    HA   MET   2           HA       MET   2 -13.345   8.802   2.773
    3    HB2  MET   2           HB2      MET   2 -12.837   9.665   5.602
    4    HB3  MET   2           HB3      MET   2 -12.882  10.853   4.307
    5    HG2  MET   2           HG2      MET   2 -15.135  10.336   3.792
    6    HG3  MET   2           HG3      MET   2 -15.111   8.909   4.826
    7    HE1  MET   2           HE1      MET   2 -14.923   8.771   7.047
    8    HE3  MET   2           HE2      MET   2 -16.092   9.694   7.991
    9    HE2  MET   2           HE3      MET   2 -14.373  10.073   8.102

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ASP   3           H        ASP   3 -11.944  10.962   2.497
    2    HA   ASP   3           HA       ASP   3 -10.006  11.843   1.698
    3    HB2  ASP   3           HB2      ASP   3  -9.094  10.211   4.023
    4    HB3  ASP   3           HB3      ASP   3  -7.871  10.849   2.928

  No H/Q in entry =           4
  In of MODEL   42
    1    H    CYS   4           H        CYS   4  -8.082  11.376   0.403
    2    HA   CYS   4           HA       CYS   4  -8.372   8.802  -0.974
    3    HB2  CYS   4           HB2      CYS   4  -7.361  11.499  -1.809
    4    HB3  CYS   4           HB3      CYS   4  -6.855  10.062  -2.691

  No H/Q in entry =           4
  In of MODEL   42
    1    H    THR   5           H        THR   5  -6.109  10.781   0.792
    2    HA   THR   5           HA       THR   5  -3.913  10.504   1.374
    3    HB   THR   5           HB       THR   5  -4.913   9.024   2.962
    4    HG1  THR   5           HG1      THR   5  -3.201   7.713   3.344
    5   HG21  THR   5          HG21      THR   5  -4.890   6.926   0.809
    6   HG23  THR   5          HG22      THR   5  -6.299   7.629   1.602
    7   HG22  THR   5          HG23      THR   5  -5.189   6.610   2.518

  No H/Q in entry =           7
  In of MODEL   42
    1    H    THR   6           H        THR   6  -3.362  10.909  -0.952
    2    HA   THR   6           HA       THR   6  -2.786   8.939  -2.810
    3    HB   THR   6           HB       THR   6  -1.141  10.571  -3.752
    4    HG1  THR   6           HG1      THR   6  -1.872  12.149  -1.515
    5   HG21  THR   6          HG21      THR   6  -3.732  10.753  -3.972
    6   HG23  THR   6          HG22      THR   6  -2.690  12.066  -4.521
    7   HG22  THR   6          HG23      THR   6  -3.512  12.184  -2.965

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLY   7           H        GLY   7  -1.565   7.192  -2.565
    2    HA3  GLY   7           HA2      GLY   7   1.192   7.447  -1.761
    3    HA2  GLY   7           HA3      GLY   7   0.206   6.568  -0.602

  No H/Q in entry =           3
  In of MODEL   42
    1    HA   PRO   8           HA       PRO   8   2.027   3.800  -4.070
    2    HB2  PRO   8           HB2      PRO   8   2.870   2.335  -1.620
    3    HB3  PRO   8           HB3      PRO   8   3.748   2.605  -3.130
    4    HG2  PRO   8           HG2      PRO   8   4.383   3.963  -0.930
    5    HG3  PRO   8           HG3      PRO   8   4.402   4.746  -2.521
    6    HD2  PRO   8           HD2      PRO   8   2.384   4.954  -0.327
    7    HD3  PRO   8           HD3      PRO   8   2.970   6.203  -1.445

  No H/Q in entry =           7
  In of MODEL   42
    1    H    CYS   9           H        CYS   9   0.087   3.457  -1.196
    2    HA   CYS   9           HA       CYS   9  -0.986   0.896  -2.108
    3    HB2  CYS   9           HB2      CYS   9  -0.708   2.222   0.457
    4    HB3  CYS   9           HB3      CYS   9  -2.356   1.657   0.206

  No H/Q in entry =           4
  In of MODEL   42
    1    H    CYS  10           H        CYS  10  -1.514   3.527  -3.444
    2    HA   CYS  10           HA       CYS  10  -4.437   3.295  -3.454
    3    HB2  CYS  10           HB2      CYS  10  -2.915   5.909  -3.365
    4    HB3  CYS  10           HB3      CYS  10  -4.653   5.753  -3.604

  No H/Q in entry =           4
  In of MODEL   42
    1    H    ARG  11           H        ARG  11  -5.419   3.686  -5.439
    2    HA   ARG  11           HA       ARG  11  -3.671   3.393  -7.718
    3    HB2  ARG  11           HB2      ARG  11  -6.616   3.209  -7.259
    4    HB3  ARG  11           HB3      ARG  11  -6.031   3.463  -8.898
    5    HG2  ARG  11           HG2      ARG  11  -4.468   1.431  -8.289
    6    HG3  ARG  11           HG3      ARG  11  -5.751   1.098  -7.125
    7    HD2  ARG  11           HD2      ARG  11  -7.212   1.599  -9.341
    8    HD3  ARG  11           HD3      ARG  11  -5.758   0.914 -10.066
    9    HE   ARG  11           HE       ARG  11  -6.350  -0.841  -8.096
   10   HH11  ARG  11          HH11      ARG  11  -8.213   0.528 -10.710
   11   HH12  ARG  11          HH12      ARG  11  -9.232  -0.862 -10.878
   12   HH21  ARG  11          HH21      ARG  11  -7.688  -2.670  -8.315
   13   HH22  ARG  11          HH22      ARG  11  -8.935  -2.678  -9.518

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  12           H        GLN  12  -6.605   5.351  -7.744
    2    HA   GLN  12           HA       GLN  12  -4.992   7.595  -8.766
    3    HB2  GLN  12           HB2      GLN  12  -7.893   6.990  -9.359
    4    HB3  GLN  12           HB3      GLN  12  -6.928   8.278 -10.066
    5    HG2  GLN  12           HG2      GLN  12  -5.436   6.088 -10.672
    6    HG3  GLN  12           HG3      GLN  12  -7.074   5.439 -10.749
    7   HE21  GLN  12          HE21      GLN  12  -4.705   6.827 -12.517
    8   HE22  GLN  12          HE22      GLN  12  -5.646   7.516 -13.791

  No H/Q in entry =           8
  In of MODEL   42
    1    H    CYS  13           H        CYS  13  -7.356   6.572  -6.451
    2    HA   CYS  13           HA       CYS  13  -6.976   8.731  -4.738
    3    HB2  CYS  13           HB2      CYS  13  -8.448   9.608  -6.859
    4    HB3  CYS  13           HB3      CYS  13  -9.721   9.108  -5.751

  No H/Q in entry =           4
  In of MODEL   42
    1    H    LYS  14           H        LYS  14  -7.244   5.918  -4.591
    2    HA   LYS  14           HA       LYS  14  -9.178   5.749  -2.460
    3    HB2  LYS  14           HB2      LYS  14  -9.570   4.335  -5.071
    4    HB3  LYS  14           HB3      LYS  14 -10.097   3.565  -3.581
    5    HG2  LYS  14           HG2      LYS  14 -11.285   5.857  -3.167
    6    HG3  LYS  14           HG3      LYS  14 -11.132   6.015  -4.918
    7    HD2  LYS  14           HD2      LYS  14 -13.135   4.944  -4.860
    8    HD3  LYS  14           HD3      LYS  14 -12.087   3.525  -4.811
    9    HE2  LYS  14           HE2      LYS  14 -12.566   3.076  -2.637
   10    HE3  LYS  14           HE3      LYS  14 -12.763   4.777  -2.217
   11    HZ2  LYS  14           HZ1      LYS  14 -14.826   3.314  -2.222
   12    HZ1  LYS  14           HZ2      LYS  14 -14.736   3.374  -3.910
   13    HZ3  LYS  14           HZ3      LYS  14 -14.932   4.801  -3.023

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU  15           H        LEU  15  -8.711   4.141  -1.000
    2    HA   LEU  15           HA       LEU  15  -6.092   3.180  -0.881
    3    HB2  LEU  15           HB2      LEU  15  -7.970   3.422   0.944
    4    HB3  LEU  15           HB3      LEU  15  -8.301   1.750   0.534
    5    HG   LEU  15           HG       LEU  15  -6.851   1.853   2.467
    6   HD12  LEU  15          HD11      LEU  15  -5.267   0.981   0.057
    7   HD11  LEU  15          HD12      LEU  15  -6.545   0.034   0.819
    8   HD13  LEU  15          HD13      LEU  15  -5.076   0.415   1.716
    9   HD23  LEU  15          HD21      LEU  15  -4.394   2.731   1.580
   10   HD22  LEU  15          HD22      LEU  15  -5.498   3.620   2.628
   11   HD21  LEU  15          HD23      LEU  15  -5.518   3.901   0.888

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS  16           H        LYS  16  -5.160   1.711  -2.128
    2    HA   LYS  16           HA       LYS  16  -6.449   0.001  -3.894
    3    HB2  LYS  16           HB2      LYS  16  -3.698   0.065  -2.715
    4    HB3  LYS  16           HB3      LYS  16  -4.183  -1.311  -3.697
    5    HG2  LYS  16           HG2      LYS  16  -4.893   0.503  -5.417
    6    HG3  LYS  16           HG3      LYS  16  -3.807   1.540  -4.490
    7    HD2  LYS  16           HD2      LYS  16  -2.121  -0.417  -4.767
    8    HD3  LYS  16           HD3      LYS  16  -3.180  -0.910  -6.090
    9    HE2  LYS  16           HE2      LYS  16  -2.760   1.031  -7.311
   10    HE3  LYS  16           HE3      LYS  16  -2.165   1.902  -5.898
   11    HZ2  LYS  16           HZ1      LYS  16  -0.402   1.212  -7.464
   12    HZ1  LYS  16           HZ2      LYS  16  -0.770  -0.406  -7.138
   13    HZ3  LYS  16           HZ3      LYS  16  -0.184   0.592  -5.905

  No H/Q in entry =          13
  In of MODEL   42
    1    HA   PRO  17           HA       PRO  17  -7.836  -3.481  -1.580
    2    HB2  PRO  17           HB2      PRO  17  -7.191  -5.579  -3.186
    3    HB3  PRO  17           HB3      PRO  17  -8.509  -4.459  -3.545
    4    HG2  PRO  17           HG2      PRO  17  -5.719  -4.511  -4.629
    5    HG3  PRO  17           HG3      PRO  17  -7.248  -4.238  -5.486
    6    HD2  PRO  17           HD2      PRO  17  -5.606  -2.212  -4.777
    7    HD3  PRO  17           HD3      PRO  17  -7.372  -2.032  -4.822

  No H/Q in entry =           7
  In of MODEL   42
    1    H    ALA  18           H        ALA  18  -7.167  -4.960  -0.080
    2    HA   ALA  18           HA       ALA  18  -4.559  -4.881   0.878
    3    HB2  ALA  18           HB1      ALA  18  -6.934  -6.571   1.403
    4    HB1  ALA  18           HB2      ALA  18  -5.967  -5.595   2.509
    5    HB3  ALA  18           HB3      ALA  18  -5.376  -7.168   1.974

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  19           H        GLY  19  -2.815  -6.305   0.794
    2    HA3  GLY  19           HA2      GLY  19  -1.708  -8.282   0.077
    3    HA2  GLY  19           HA3      GLY  19  -2.973  -8.525  -1.117

  No H/Q in entry =           3
  In of MODEL   42
    1    H    THR  20           H        THR  20  -2.723  -5.579  -1.824
    2    HA   THR  20           HA       THR  20  -0.943  -5.915  -4.001
    3    HB   THR  20           HB       THR  20  -2.154  -3.374  -2.894
    4    HG1  THR  20           HG1      THR  20  -3.755  -3.743  -4.437
    5   HG21  THR  20          HG21      THR  20  -0.281  -2.999  -4.481
    6   HG23  THR  20          HG22      THR  20  -1.841  -2.396  -5.040
    7   HG22  THR  20          HG23      THR  20  -1.193  -3.901  -5.691

  No H/Q in entry =           7
  In of MODEL   42
    1    H    THR  21           H        THR  21   1.183  -6.118  -3.676
    2    HA   THR  21           HA       THR  21   2.584  -4.944  -1.508
    3    HB   THR  21           HB       THR  21   4.421  -5.551  -3.584
    4    HG1  THR  21           HG1      THR  21   2.853  -6.655  -4.700
    5   HG22  THR  21          HG21      THR  21   4.398  -7.796  -2.075
    6   HG21  THR  21          HG22      THR  21   3.682  -6.627  -0.966
    7   HG23  THR  21          HG23      THR  21   5.270  -6.319  -1.668

  No H/Q in entry =           7
  In of MODEL   42
    1    H    CYS  22           H        CYS  22   3.787  -3.112  -1.365
    2    HA   CYS  22           HA       CYS  22   3.731  -1.310  -3.697
    3    HB2  CYS  22           HB2      CYS  22   3.644   0.568  -2.134
    4    HB3  CYS  22           HB3      CYS  22   2.293  -0.527  -1.860

  No H/Q in entry =           4
  In of MODEL   42
    1    H    TRP  23           H        TRP  23   5.581  -2.374  -0.882
    2    HA   TRP  23           HA       TRP  23   7.946  -0.960  -1.841
    3    HB2  TRP  23           HB2      TRP  23   7.051  -1.319   0.672
    4    HB3  TRP  23           HB3      TRP  23   8.112  -2.718   0.543
    5    HD1  TRP  23           HD1      TRP  23   8.265   1.133   0.235
    6    HE1  TRP  23           HE1      TRP  23  10.656   1.886   0.819
    7    HE3  TRP  23           HE3      TRP  23  10.451  -3.456   0.782
    8    HZ2  TRP  23           HZ2      TRP  23  13.140   0.692   1.430
    9    HZ3  TRP  23           HZ3      TRP  23  12.838  -3.563   1.367
   10    HH2  TRP  23           HH2      TRP  23  14.154  -1.531   1.684

  No H/Q in entry =          10
  In of MODEL   42
    1    H    ARG  24           H        ARG  24   8.325  -2.202  -3.730
    2    HA   ARG  24           HA       ARG  24   9.344  -4.917  -3.199
    3    HB2  ARG  24           HB2      ARG  24   7.960  -3.770  -5.614
    4    HB3  ARG  24           HB3      ARG  24   8.932  -5.231  -5.717
    5    HG2  ARG  24           HG2      ARG  24   7.500  -6.350  -4.134
    6    HG3  ARG  24           HG3      ARG  24   6.571  -4.871  -3.885
    7    HD2  ARG  24           HD2      ARG  24   5.457  -5.078  -5.851
    8    HD3  ARG  24           HD3      ARG  24   6.825  -5.827  -6.671
    9    HE   ARG  24           HE       ARG  24   4.655  -7.166  -5.450
   10   HH11  ARG  24          HH11      ARG  24   8.107  -7.406  -5.905
   11   HH12  ARG  24          HH12      ARG  24   8.129  -9.133  -5.781
   12   HH21  ARG  24          HH21      ARG  24   4.682  -9.437  -5.286
   13   HH22  ARG  24          HH22      ARG  24   6.184 -10.287  -5.430

  No H/Q in entry =          13
  In of MODEL   42
    1    H    THR  25           H        THR  25  11.485  -4.965  -3.199
    2    HA   THR  25           HA       THR  25  12.930  -3.485  -5.280
    3    HB   THR  25           HB       THR  25  14.559  -2.652  -3.750
    4    HG1  THR  25           HG1      THR  25  13.207  -4.134  -1.747
    5   HG22  THR  25          HG21      THR  25  13.118  -1.481  -1.970
    6   HG21  THR  25          HG22      THR  25  11.756  -2.206  -2.824
    7   HG23  THR  25          HG23      THR  25  12.845  -1.107  -3.671

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  26           H        SER  26  12.189  -6.280  -5.034
    2    HA   SER  26           HA       SER  26  13.088  -8.343  -5.365
    3    HB2  SER  26           HB2      SER  26  15.720  -6.912  -5.774
    4    HB3  SER  26           HB3      SER  26  15.250  -8.490  -6.404
    5    HG   SER  26           HG       SER  26  14.052  -6.006  -7.083

  No H/Q in entry =           5
  In of MODEL   42
    1    H    VAL  27           H        VAL  27  13.021  -7.207  -2.689
    2    HA   VAL  27           HA       VAL  27  14.980  -8.993  -1.453
    3    HB   VAL  27           HB       VAL  27  14.509  -6.202  -0.411
    4   HG12  VAL  27          HG11      VAL  27  16.721  -6.885   0.795
    5   HG11  VAL  27          HG12      VAL  27  16.173  -8.525   0.450
    6   HG13  VAL  27          HG13      VAL  27  15.167  -7.444   1.413
    7   HG21  VAL  27          HG21      VAL  27  16.430  -7.232  -2.399
    8   HG23  VAL  27          HG22      VAL  27  17.099  -6.191  -1.143
    9   HG22  VAL  27          HG23      VAL  27  15.793  -5.603  -2.172

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  28           H        SER  28  12.195  -6.873  -0.926
    2    HA   SER  28           HA       SER  28  10.989  -8.956   0.737
    3    HB2  SER  28           HB2      SER  28  11.732  -6.216   1.614
    4    HB3  SER  28           HB3      SER  28  10.161  -6.819   2.140
    5    HG   SER  28           HG       SER  28  12.244  -7.282   3.409

  No H/Q in entry =           5
  In of MODEL   42
    1    H    SER  29           H        SER  29   8.660  -7.930   1.424
    2    HA   SER  29           HA       SER  29   7.459  -6.548  -0.838
    3    HB2  SER  29           HB2      SER  29   7.041  -9.421  -0.213
    4    HB3  SER  29           HB3      SER  29   5.602  -8.483  -0.615
    5    HG   SER  29           HG       SER  29   7.922  -8.891  -2.184

  No H/Q in entry =           5
  In of MODEL   42
    1    H    HIS  30           H        HIS  30   6.165  -5.036  -0.051
    2    HA   HIS  30           HA       HIS  30   5.022  -5.413   2.631
    3    HB2  HIS  30           HB2      HIS  30   5.534  -2.887   1.049
    4    HB3  HIS  30           HB3      HIS  30   4.751  -2.934   2.625
    5    HD1  HIS  30           HD1      HIS  30   6.594  -1.588   3.786
    6    HD2  HIS  30           HD2      HIS  30   7.962  -5.069   1.975
    7    HE1  HIS  30           HE1      HIS  30   8.938  -1.911   4.635
    8    HE2  HIS  30           HE2      HIS  30   9.776  -3.975   3.459

  No H/Q in entry =           8
  In of MODEL   42
    1    H    TYR  31           H        TYR  31   3.274  -6.701   1.839
    2    HA   TYR  31           HA       TYR  31   1.478  -5.912  -0.158
    3    HB2  TYR  31           HB2      TYR  31   1.048  -7.647   2.280
    4    HB3  TYR  31           HB3      TYR  31  -0.116  -7.482   0.970
    5    HD1  TYR  31           HD1      TYR  31   1.726  -9.878   2.146
    6    HD2  TYR  31           HD2      TYR  31   1.689  -7.501  -1.382
    7    HE1  TYR  31           HE1      TYR  31   2.855 -11.688   0.923
    8    HE2  TYR  31           HE2      TYR  31   2.817  -9.305  -2.616
    9    HH   TYR  31           HH       TYR  31   4.307 -11.265  -2.059

  No H/Q in entry =           9
  In of MODEL   42
    1    H    CYS  32           H        CYS  32  -0.597  -4.970  -0.041
    2    HA   CYS  32           HA       CYS  32  -0.779  -2.828   1.875
    3    HB2  CYS  32           HB2      CYS  32  -1.468  -2.908  -0.681
    4    HB3  CYS  32           HB3      CYS  32  -3.004  -3.454  -0.016

  No H/Q in entry =           4
  In of MODEL   42
    1    H    THR  33           H        THR  33  -2.388  -2.505   3.406
    2    HA   THR  33           HA       THR  33  -3.705  -4.961   4.305
    3    HB   THR  33           HB       THR  33  -3.842  -3.981   6.459
    4    HG1  THR  33           HG1      THR  33  -3.810  -1.876   6.824
    5   HG22  THR  33          HG21      THR  33  -1.378  -2.631   6.232
    6   HG21  THR  33          HG22      THR  33  -1.336  -4.006   5.128
    7   HG23  THR  33          HG23      THR  33  -1.688  -4.258   6.838

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLY  34           H        GLY  34  -4.566  -2.844   2.161
    2    HA3  GLY  34           HA2      GLY  34  -6.522  -1.861   1.455
    3    HA2  GLY  34           HA3      GLY  34  -7.284  -3.228   2.252

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ARG  35           H        ARG  35  -5.418  -0.907   4.061
    2    HA   ARG  35           HA       ARG  35  -7.920   0.190   5.158
    3    HB2  ARG  35           HB2      ARG  35  -6.182  -1.382   6.538
    4    HB3  ARG  35           HB3      ARG  35  -5.552   0.217   6.911
    5    HG2  ARG  35           HG2      ARG  35  -7.381   0.811   8.121
    6    HG3  ARG  35           HG3      ARG  35  -8.474  -0.202   7.177
    7    HD2  ARG  35           HD2      ARG  35  -7.041  -2.137   8.271
    8    HD3  ARG  35           HD3      ARG  35  -6.748  -0.904   9.496
    9    HE   ARG  35           HE       ARG  35  -9.436  -0.849   9.189
   10   HH11  ARG  35          HH11      ARG  35  -7.153  -3.412   9.822
   11   HH12  ARG  35          HH12      ARG  35  -8.282  -4.364  10.725
   12   HH21  ARG  35          HH21      ARG  35 -10.923  -2.101  10.377
   13   HH22  ARG  35          HH22      ARG  35 -10.422  -3.621  11.040

  No H/Q in entry =          13
  In of MODEL   42
    1    H    SER  36           H        SER  36  -4.461   0.944   5.423
    2    HA   SER  36           HA       SER  36  -5.104   3.722   4.678
    3    HB2  SER  36           HB2      SER  36  -3.251   2.600   6.748
    4    HB3  SER  36           HB3      SER  36  -2.873   4.153   6.003
    5    HG   SER  36           HG       SER  36  -4.613   3.634   7.946

  No H/Q in entry =           5
  In of MODEL   42
    1    H    CYS  37           H        CYS  37  -3.615   4.856   3.382
    2    HA   CYS  37           HA       CYS  37  -2.321   3.250   1.411
    3    HB2  CYS  37           HB2      CYS  37  -3.392   5.730   1.372
    4    HB3  CYS  37           HB3      CYS  37  -1.688   6.139   1.533

  No H/Q in entry =           4
  In of MODEL   42
    1    H    GLU  38           H        GLU  38  -1.319   4.694   4.366
    2    HA   GLU  38           HA       GLU  38   1.429   5.040   3.816
    3    HB2  GLU  38           HB2      GLU  38  -0.149   4.675   6.350
    4    HB3  GLU  38           HB3      GLU  38   1.605   4.782   6.382
    5    HG2  GLU  38           HG2      GLU  38   1.479   6.975   5.291
    6    HG3  GLU  38           HG3      GLU  38  -0.281   6.868   5.309

  No H/Q in entry =           6
  In of MODEL   42
    1    H    CYS  39           H        CYS  39   2.527   3.374   2.945
    2    HA   CYS  39           HA       CYS  39   2.101   0.656   3.464
    3    HB2  CYS  39           HB2      CYS  39   4.486   2.157   2.391
    4    HB3  CYS  39           HB3      CYS  39   4.467   0.403   2.533

  No H/Q in entry =           4
  In of MODEL   42
    1    HA   PRO  40           HA       PRO  40   4.017  -0.018   7.381
    2    HB2  PRO  40           HB2      PRO  40   4.841  -2.590   7.116
    3    HB3  PRO  40           HB3      PRO  40   3.142  -2.143   7.312
    4    HG2  PRO  40           HG2      PRO  40   4.647  -2.819   4.813
    5    HG3  PRO  40           HG3      PRO  40   3.024  -3.330   5.315
    6    HD2  PRO  40           HD2      PRO  40   3.436  -1.327   3.540
    7    HD3  PRO  40           HD3      PRO  40   2.057  -1.343   4.658

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  41           H        SER  41   6.110  -0.999   8.333
    2    HA   SER  41           HA       SER  41   8.382  -0.332   6.579
    3    HB2  SER  41           HB2      SER  41   7.730   1.310   8.519
    4    HB3  SER  41           HB3      SER  41   8.522   0.112   9.541
    5    HG   SER  41           HG       SER  41  10.313   1.014   8.948

  No H/Q in entry =           5
  In of MODEL   42
    1    H    TYR  42           H        TYR  42   7.274  -2.932   6.993
    2    HA   TYR  42           HA       TYR  42   9.662  -4.319   7.760
    3    HB2  TYR  42           HB2      TYR  42   8.468  -5.748   9.479
    4    HB3  TYR  42           HB3      TYR  42   8.839  -4.102   9.982
    5    HD1  TYR  42           HD1      TYR  42   6.084  -6.155   8.533
    6    HD2  TYR  42           HD2      TYR  42   7.156  -2.766  10.871
    7    HE1  TYR  42           HE1      TYR  42   3.717  -5.802   9.097
    8    HE2  TYR  42           HE2      TYR  42   4.792  -2.404  11.442
    9    HH   TYR  42           HH       TYR  42   2.267  -3.840   9.815

  No H/Q in entry =           9
  In of MODEL   42
    1    HA   PRO  43           HA       PRO  43   8.070  -7.240   4.871
    2    HB2  PRO  43           HB2      PRO  43   9.146  -9.569   5.756
    3    HB3  PRO  43           HB3      PRO  43  10.104  -8.308   4.971
    4    HG2  PRO  43           HG2      PRO  43   9.788  -8.908   7.887
    5    HG3  PRO  43           HG3      PRO  43  11.259  -8.507   6.980
    6    HD2  PRO  43           HD2      PRO  43   9.931  -6.686   8.482
    7    HD3  PRO  43           HD3      PRO  43  10.805  -6.246   7.001

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLY  44           H        GLY  44   6.083  -8.050   4.681
    2    HA3  GLY  44           HA2      GLY  44   4.504  -8.726   6.960
    3    HA2  GLY  44           HA3      GLY  44   4.025  -8.894   5.278

  No H/Q in entry =           3
  In of MODEL   43
    1    H1   ALA   1           H2       ALA   1  -7.098  14.580  -2.194
    2    H2   ALA   1           H1       ALA   1  -5.515  14.884  -2.784
    3    H3   ALA   1           H3       ALA   1  -5.742  13.852  -1.434
    4    HA   ALA   1           HA       ALA   1  -4.995  15.843  -0.585
    5    HB2  ALA   1           HB1      ALA   1  -5.243  17.310  -2.416
    6    HB3  ALA   1           HB2      ALA   1  -6.245  17.976  -1.127
    7    HB1  ALA   1           HB3      ALA   1  -6.992  17.089  -2.455

  No H/Q in entry =           7
  In of MODEL   43
    1    H    MET   2           H        MET   2  -5.761  14.763   1.243
    2    HA   MET   2           HA       MET   2  -7.051  14.457   3.091
    3    HB2  MET   2           HB2      MET   2  -7.162  17.099   2.597
    4    HB3  MET   2           HB3      MET   2  -8.869  16.708   2.434
    5    HG2  MET   2           HG2      MET   2  -7.519  15.607   4.807
    6    HG3  MET   2           HG3      MET   2  -7.690  17.360   4.755
    7    HE2  MET   2           HE1      MET   2 -10.880  18.247   5.692
    8    HE1  MET   2           HE2      MET   2  -9.124  18.382   5.785
    9    HE3  MET   2           HE3      MET   2 -10.000  17.432   6.984

  No H/Q in entry =           9
  In of MODEL   43
    1    H    ASP   3           H        ASP   3  -7.796  13.170   0.604
    2    HA   ASP   3           HA       ASP   3 -10.263  12.059   1.378
    3    HB2  ASP   3           HB2      ASP   3 -11.622  12.820  -0.592
    4    HB3  ASP   3           HB3      ASP   3 -11.295  14.080   0.594

  No H/Q in entry =           4
  In of MODEL   43
    1    H    CYS   4           H        CYS   4 -11.166  10.613  -0.422
    2    HA   CYS   4           HA       CYS   4 -10.877   8.927  -1.922
    3    HB2  CYS   4           HB2      CYS   4  -9.009  10.999  -2.869
    4    HB3  CYS   4           HB3      CYS   4  -8.649   9.367  -3.417

  No H/Q in entry =           4
  In of MODEL   43
    1    H    THR   5           H        THR   5  -9.063   9.362   0.658
    2    HA   THR   5           HA       THR   5  -7.500   8.174   1.809
    3    HB   THR   5           HB       THR   5  -7.937   5.770   0.111
    4    HG1  THR   5           HG1      THR   5 -10.012   5.727   0.376
    5   HG21  THR   5          HG21      THR   5  -7.719   6.356   3.024
    6   HG23  THR   5          HG22      THR   5  -6.831   5.194   2.039
    7   HG22  THR   5          HG23      THR   5  -8.511   4.880   2.473

  No H/Q in entry =           7
  In of MODEL   43
    1    H    THR   6           H        THR   6  -6.062   9.674   0.411
    2    HA   THR   6           HA       THR   6  -4.526   8.489  -1.673
    3    HB   THR   6           HB       THR   6  -2.960  10.525  -0.928
    4    HG1  THR   6           HG1      THR   6  -3.968  11.991   0.254
    5   HG22  THR   6          HG21      THR   6  -5.226  11.804  -2.056
    6   HG21  THR   6          HG22      THR   6  -5.052  10.212  -2.795
    7   HG23  THR   6          HG23      THR   6  -3.707  11.352  -2.830

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLY   7           H        GLY   7  -2.133   8.253  -1.556
    2    HA3  GLY   7           HA2      GLY   7  -0.417   8.058   0.441
    3    HA2  GLY   7           HA3      GLY   7  -1.462   6.699   0.827

  No H/Q in entry =           3
  In of MODEL   43
    1    HA   PRO   8           HA       PRO   8   1.883   5.397  -2.217
    2    HB2  PRO   8           HB2      PRO   8   3.192   3.643  -0.637
    3    HB3  PRO   8           HB3      PRO   8   3.575   5.369  -0.652
    4    HG2  PRO   8           HG2      PRO   8   1.912   3.814   1.292
    5    HG3  PRO   8           HG3      PRO   8   3.124   5.070   1.610
    6    HD2  PRO   8           HD2      PRO   8   0.446   5.554   1.618
    7    HD3  PRO   8           HD3      PRO   8   1.650   6.778   1.169

  No H/Q in entry =           7
  In of MODEL   43
    1    H    CYS   9           H        CYS   9  -0.203   3.688   0.024
    2    HA   CYS   9           HA       CYS   9  -0.335   1.425  -1.857
    3    HB2  CYS   9           HB2      CYS   9   0.340   1.174   0.682
    4    HB3  CYS   9           HB3      CYS   9  -1.401   1.238   0.930

  No H/Q in entry =           4
  In of MODEL   43
    1    H    CYS  10           H        CYS  10  -1.780   3.036  -3.029
    2    HA   CYS  10           HA       CYS  10  -4.546   2.550  -2.177
    3    HB2  CYS  10           HB2      CYS  10  -3.737   5.174  -3.409
    4    HB3  CYS  10           HB3      CYS  10  -5.228   4.774  -2.565

  No H/Q in entry =           4
  In of MODEL   43
    1    H    ARG  11           H        ARG  11  -6.016   3.441  -4.133
    2    HA   ARG  11           HA       ARG  11  -4.838   2.452  -6.641
    3    HB2  ARG  11           HB2      ARG  11  -6.298   0.733  -5.555
    4    HB3  ARG  11           HB3      ARG  11  -7.646   1.853  -5.697
    5    HG2  ARG  11           HG2      ARG  11  -7.749   1.646  -7.996
    6    HG3  ARG  11           HG3      ARG  11  -6.082   1.081  -8.121
    7    HD2  ARG  11           HD2      ARG  11  -6.640  -1.066  -7.702
    8    HD3  ARG  11           HD3      ARG  11  -7.889  -0.623  -6.539
    9    HE   ARG  11           HE       ARG  11  -9.433  -0.734  -8.218
   10   HH11  ARG  11          HH11      ARG  11  -6.254  -0.522  -9.642
   11   HH12  ARG  11          HH12      ARG  11  -6.823  -0.787 -11.256
   12   HH21  ARG  11          HH21      ARG  11 -10.183  -1.083 -10.340
   13   HH22  ARG  11          HH22      ARG  11  -9.053  -1.105 -11.653

  No H/Q in entry =          13
  In of MODEL   43
    1    H    GLN  12           H        GLN  12  -4.955   5.122  -5.990
    2    HA   GLN  12           HA       GLN  12  -5.381   7.034  -7.183
    3    HB2  GLN  12           HB2      GLN  12  -6.444   6.987  -9.175
    4    HB3  GLN  12           HB3      GLN  12  -6.358   5.247  -8.955
    5    HG2  GLN  12           HG2      GLN  12  -8.551   5.479  -9.516
    6    HG3  GLN  12           HG3      GLN  12  -8.670   5.606  -7.762
    7   HE21  GLN  12          HE21      GLN  12 -10.725   6.590  -9.028
    8   HE22  GLN  12          HE22      GLN  12 -10.703   8.316  -9.087

  No H/Q in entry =           8
  In of MODEL   43
    1    H    CYS  13           H        CYS  13  -8.003   5.242  -5.691
    2    HA   CYS  13           HA       CYS  13  -8.696   7.436  -4.034
    3    HB2  CYS  13           HB2      CYS  13  -9.774   8.131  -6.185
    4    HB3  CYS  13           HB3      CYS  13 -10.767   6.680  -6.104

  No H/Q in entry =           4
  In of MODEL   43
    1    H    LYS  14           H        LYS  14  -8.004   4.637  -3.804
    2    HA   LYS  14           HA       LYS  14  -9.977   3.864  -1.899
    3    HB2  LYS  14           HB2      LYS  14 -10.799   3.176  -4.330
    4    HB3  LYS  14           HB3      LYS  14  -9.711   1.822  -4.056
    5    HG2  LYS  14           HG2      LYS  14 -11.002   1.634  -1.788
    6    HG3  LYS  14           HG3      LYS  14 -12.244   2.533  -2.662
    7    HD2  LYS  14           HD2      LYS  14 -12.910   0.464  -3.281
    8    HD3  LYS  14           HD3      LYS  14 -11.647   0.658  -4.498
    9    HE2  LYS  14           HE2      LYS  14 -10.059  -0.471  -2.984
   10    HE3  LYS  14           HE3      LYS  14 -11.368  -0.720  -1.829
   11    HZ1  LYS  14           HZ1      LYS  14 -11.414  -1.752  -4.610
   12    HZ3  LYS  14           HZ2      LYS  14 -12.490  -2.127  -3.360
   13    HZ2  LYS  14           HZ3      LYS  14 -10.887  -2.659  -3.282

  No H/Q in entry =          13
  In of MODEL   43
    1    H    LEU  15           H        LEU  15  -9.257   2.234  -0.529
    2    HA   LEU  15           HA       LEU  15  -6.515   1.956  -0.187
    3    HB2  LEU  15           HB2      LEU  15  -8.809   1.196   1.190
    4    HB3  LEU  15           HB3      LEU  15  -7.995  -0.320   0.853
    5    HG   LEU  15           HG       LEU  15  -7.304   0.454   3.014
    6   HD12  LEU  15          HD11      LEU  15  -4.865   1.257   1.620
    7   HD11  LEU  15          HD12      LEU  15  -5.577  -0.237   1.012
    8   HD13  LEU  15          HD13      LEU  15  -5.156  -0.091   2.719
    9   HD21  LEU  15          HD21      LEU  15  -7.846   2.816   2.740
   10   HD23  LEU  15          HD22      LEU  15  -6.480   3.010   1.641
   11   HD22  LEU  15          HD23      LEU  15  -6.199   2.610   3.335

  No H/Q in entry =          11
  In of MODEL   43
    1    H    LYS  16           H        LYS  16  -5.002   0.716  -1.100
    2    HA   LYS  16           HA       LYS  16  -5.426  -0.786  -3.385
    3    HB2  LYS  16           HB2      LYS  16  -3.226   0.063  -2.046
    4    HB3  LYS  16           HB3      LYS  16  -3.163  -1.658  -1.696
    5    HG2  LYS  16           HG2      LYS  16  -2.679  -2.216  -3.832
    6    HG3  LYS  16           HG3      LYS  16  -3.636  -0.898  -4.511
    7    HD2  LYS  16           HD2      LYS  16  -1.733   0.562  -3.376
    8    HD3  LYS  16           HD3      LYS  16  -0.809  -0.926  -3.594
    9    HE2  LYS  16           HE2      LYS  16  -2.392  -0.041  -5.918
   10    HE3  LYS  16           HE3      LYS  16  -1.040   0.999  -5.472
   11    HZ1  LYS  16           HZ1      LYS  16   0.270  -1.201  -5.420
   12    HZ3  LYS  16           HZ2      LYS  16  -0.084  -0.501  -6.918
   13    HZ2  LYS  16           HZ3      LYS  16  -0.999  -1.809  -6.360

  No H/Q in entry =          13
  In of MODEL   43
    1    HA   PRO  17           HA       PRO  17  -7.193  -4.673  -2.309
    2    HB2  PRO  17           HB2      PRO  17  -4.973  -5.881  -3.893
    3    HB3  PRO  17           HB3      PRO  17  -6.717  -6.139  -4.021
    4    HG2  PRO  17           HG2      PRO  17  -5.437  -4.636  -5.805
    5    HG3  PRO  17           HG3      PRO  17  -7.052  -4.186  -5.227
    6    HD2  PRO  17           HD2      PRO  17  -4.396  -3.024  -4.530
    7    HD3  PRO  17           HD3      PRO  17  -5.972  -2.224  -4.690

  No H/Q in entry =           7
  In of MODEL   43
    1    H    ALA  18           H        ALA  18  -6.992  -5.958  -0.578
    2    HA   ALA  18           HA       ALA  18  -4.795  -5.841   1.144
    3    HB1  ALA  18           HB1      ALA  18  -7.323  -6.689   1.416
    4    HB3  ALA  18           HB2      ALA  18  -6.041  -7.092   2.558
    5    HB2  ALA  18           HB3      ALA  18  -6.503  -8.246   1.307

  No H/Q in entry =           5
  In of MODEL   43
    1    H    GLY  19           H        GLY  19  -2.831  -6.664   0.886
    2    HA3  GLY  19           HA2      GLY  19  -1.394  -8.574   0.781
    3    HA2  GLY  19           HA3      GLY  19  -2.575  -9.361  -0.256

  No H/Q in entry =           3
  In of MODEL   43
    1    H    THR  20           H        THR  20  -1.676  -6.046  -0.798
    2    HA   THR  20           HA       THR  20  -0.082  -6.890  -3.128
    3    HB   THR  20           HB       THR  20  -1.994  -4.554  -2.945
    4    HG1  THR  20           HG1      THR  20  -3.105  -5.755  -4.568
    5   HG21  THR  20          HG21      THR  20   0.224  -4.695  -4.556
    6   HG23  THR  20          HG22      THR  20  -1.213  -3.713  -4.844
    7   HG22  THR  20          HG23      THR  20  -1.069  -5.305  -5.589

  No H/Q in entry =           7
  In of MODEL   43
    1    H    THR  21           H        THR  21   1.969  -6.353  -2.823
    2    HA   THR  21           HA       THR  21   2.909  -4.547  -0.903
    3    HB   THR  21           HB       THR  21   4.418  -6.197  -1.660
    4    HG1  THR  21           HG1      THR  21   5.329  -4.054  -1.377
    5   HG21  THR  21          HG21      THR  21   3.291  -5.775  -4.202
    6   HG23  THR  21          HG22      THR  21   4.465  -6.997  -3.713
    7   HG22  THR  21          HG23      THR  21   5.018  -5.441  -4.333

  No H/Q in entry =           7
  In of MODEL   43
    1    H    CYS  22           H        CYS  22   3.773  -2.464  -1.062
    2    HA   CYS  22           HA       CYS  22   2.675  -0.890  -3.280
    3    HB2  CYS  22           HB2      CYS  22   3.093   1.063  -1.756
    4    HB3  CYS  22           HB3      CYS  22   1.932  -0.108  -1.139

  No H/Q in entry =           4
  In of MODEL   43
    1    H    TRP  23           H        TRP  23   5.653  -1.709  -1.640
    2    HA   TRP  23           HA       TRP  23   7.136  -0.331  -3.774
    3    HB2  TRP  23           HB2      TRP  23   7.193   0.890  -1.539
    4    HB3  TRP  23           HB3      TRP  23   8.114  -0.479  -0.923
    5    HD1  TRP  23           HD1      TRP  23   8.447   1.744  -4.104
    6    HE1  TRP  23           HE1      TRP  23  10.920   2.418  -4.331
    7    HE3  TRP  23           HE3      TRP  23  10.314  -0.617   0.028
    8    HZ2  TRP  23           HZ2      TRP  23  13.343   2.003  -2.942
    9    HZ3  TRP  23           HZ3      TRP  23  12.720  -0.429   0.508
   10    HH2  TRP  23           HH2      TRP  23  14.202   0.854  -0.948

  No H/Q in entry =          10
  In of MODEL   43
    1    H    ARG  24           H        ARG  24   8.011  -1.899  -4.956
    2    HA   ARG  24           HA       ARG  24   9.409  -4.076  -3.555
    3    HB2  ARG  24           HB2      ARG  24   8.754  -5.572  -5.456
    4    HB3  ARG  24           HB3      ARG  24   7.415  -5.065  -4.435
    5    HG2  ARG  24           HG2      ARG  24   6.432  -3.869  -6.080
    6    HG3  ARG  24           HG3      ARG  24   7.970  -3.389  -6.802
    7    HD2  ARG  24           HD2      ARG  24   8.022  -6.038  -7.287
    8    HD3  ARG  24           HD3      ARG  24   6.282  -5.755  -7.316
    9    HE   ARG  24           HE       ARG  24   7.508  -3.796  -8.884
   10   HH11  ARG  24          HH11      ARG  24   6.998  -7.248  -8.902
   11   HH12  ARG  24          HH12      ARG  24   7.020  -7.369 -10.629
   12   HH21  ARG  24          HH21      ARG  24   7.537  -3.952 -11.156
   13   HH22  ARG  24          HH22      ARG  24   7.327  -5.498 -11.910

  No H/Q in entry =          13
  In of MODEL   43
    1    H    THR  25           H        THR  25  11.377  -4.674  -4.369
    2    HA   THR  25           HA       THR  25  12.284  -3.557  -6.900
    3    HB   THR  25           HB       THR  25  14.114  -3.159  -4.579
    4    HG1  THR  25           HG1      THR  25  12.530  -2.044  -3.692
    5   HG22  THR  25          HG21      THR  25  14.039  -0.912  -6.231
    6   HG21  THR  25          HG22      THR  25  13.977  -2.306  -7.310
    7   HG23  THR  25          HG23      THR  25  15.294  -2.149  -6.147

  No H/Q in entry =           7
  In of MODEL   43
    1    H    SER  26           H        SER  26  11.715  -6.223  -6.020
    2    HA   SER  26           HA       SER  26  12.584  -8.321  -6.131
    3    HB2  SER  26           HB2      SER  26  15.164  -7.242  -7.211
    4    HB3  SER  26           HB3      SER  26  14.283  -8.699  -7.672
    5    HG   SER  26           HG       SER  26  13.789  -7.377  -9.286

  No H/Q in entry =           5
  In of MODEL   43
    1    H    VAL  27           H        VAL  27  12.961  -6.791  -3.729
    2    HA   VAL  27           HA       VAL  27  14.965  -8.436  -2.484
    3    HB   VAL  27           HB       VAL  27  16.115  -6.433  -1.424
    4   HG13  VAL  27          HG11      VAL  27  17.766  -6.342  -3.103
    5   HG12  VAL  27          HG12      VAL  27  16.593  -6.652  -4.384
    6   HG11  VAL  27          HG13      VAL  27  17.027  -7.936  -3.255
    7   HG23  VAL  27          HG21      VAL  27  16.121  -4.403  -2.959
    8   HG22  VAL  27          HG22      VAL  27  14.691  -4.637  -1.955
    9   HG21  VAL  27          HG23      VAL  27  14.649  -5.068  -3.664

  No H/Q in entry =           9
  In of MODEL   43
    1    H    SER  28           H        SER  28  12.840  -5.632  -2.132
    2    HA   SER  28           HA       SER  28  11.979  -6.713   0.469
    3    HB2  SER  28           HB2      SER  28  11.788  -4.488   1.371
    4    HB3  SER  28           HB3      SER  28  13.409  -4.657   0.696
    5    HG   SER  28           HG       SER  28  12.954  -3.208  -0.776

  No H/Q in entry =           5
  In of MODEL   43
    1    H    SER  29           H        SER  29   9.911  -7.259   0.459
    2    HA   SER  29           HA       SER  29   8.035  -5.686  -1.170
    3    HB2  SER  29           HB2      SER  29   6.885  -7.699  -1.881
    4    HB3  SER  29           HB3      SER  29   8.590  -7.836  -2.311
    5    HG   SER  29           HG       SER  29   7.297  -9.018  -0.078

  No H/Q in entry =           5
  In of MODEL   43
    1    H    HIS  30           H        HIS  30   6.745  -4.705   0.242
    2    HA   HIS  30           HA       HIS  30   5.893  -6.176   2.642
    3    HB2  HIS  30           HB2      HIS  30   5.749  -3.197   2.147
    4    HB3  HIS  30           HB3      HIS  30   5.445  -4.032   3.667
    5    HD1  HIS  30           HD1      HIS  30   7.301  -3.294   5.142
    6    HD2  HIS  30           HD2      HIS  30   8.648  -4.378   1.364
    7    HE1  HIS  30           HE1      HIS  30   9.810  -3.180   5.265
    8    HE2  HIS  30           HE2      HIS  30  10.605  -3.923   2.993

  No H/Q in entry =           8
  In of MODEL   43
    1    H    TYR  31           H        TYR  31   4.154  -7.312   1.843
    2    HA   TYR  31           HA       TYR  31   2.181  -6.293   0.126
    3    HB2  TYR  31           HB2      TYR  31   2.290  -8.606   2.035
    4    HB3  TYR  31           HB3      TYR  31   0.776  -8.196   1.234
    5    HD1  TYR  31           HD1      TYR  31   3.383 -10.372   1.053
    6    HD2  TYR  31           HD2      TYR  31   1.298  -7.628  -1.440
    7    HE1  TYR  31           HE1      TYR  31   4.098 -11.640  -0.929
    8    HE2  TYR  31           HE2      TYR  31   2.006  -8.888  -3.429
    9    HH   TYR  31           HH       TYR  31   2.812 -11.680  -3.649

  No H/Q in entry =           9
  In of MODEL   43
    1    H    CYS  32           H        CYS  32   0.311  -5.204   0.452
    2    HA   CYS  32           HA       CYS  32   0.007  -3.740   2.879
    3    HB2  CYS  32           HB2      CYS  32  -0.952  -3.549   0.225
    4    HB3  CYS  32           HB3      CYS  32  -2.368  -3.640   1.265

  No H/Q in entry =           4
  In of MODEL   43
    1    H    THR  33           H        THR  33  -2.285  -3.590   3.868
    2    HA   THR  33           HA       THR  33  -3.167  -6.334   4.470
    3    HB   THR  33           HB       THR  33  -2.319  -5.405   6.461
    4    HG1  THR  33           HG1      THR  33  -4.228  -5.063   7.721
    5   HG21  THR  33          HG21      THR  33  -3.336  -2.883   5.414
    6   HG23  THR  33          HG22      THR  33  -1.991  -3.204   6.508
    7   HG22  THR  33          HG23      THR  33  -3.636  -3.118   7.136

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLY  34           H        GLY  34  -4.072  -3.959   2.525
    2    HA3  GLY  34           HA2      GLY  34  -6.056  -3.269   1.605
    3    HA2  GLY  34           HA3      GLY  34  -6.695  -4.804   2.172

  No H/Q in entry =           3
  In of MODEL   43
    1    H    ARG  35           H        ARG  35  -5.421  -2.442   4.397
    2    HA   ARG  35           HA       ARG  35  -8.168  -1.781   5.222
    3    HB2  ARG  35           HB2      ARG  35  -6.984  -3.392   6.756
    4    HB3  ARG  35           HB3      ARG  35  -5.828  -2.113   7.098
    5    HG2  ARG  35           HG2      ARG  35  -8.670  -1.414   7.448
    6    HG3  ARG  35           HG3      ARG  35  -8.005  -2.589   8.585
    7    HD2  ARG  35           HD2      ARG  35  -6.033  -0.743   8.573
    8    HD3  ARG  35           HD3      ARG  35  -7.433   0.285   8.271
    9    HE   ARG  35           HE       ARG  35  -8.127  -1.343  10.385
   10   HH11  ARG  35          HH11      ARG  35  -5.662   1.036   9.721
   11   HH12  ARG  35          HH12      ARG  35  -5.520   1.532  11.374
   12   HH21  ARG  35          HH21      ARG  35  -7.941  -0.692  12.559
   13   HH22  ARG  35          HH22      ARG  35  -6.813   0.551  12.985

  No H/Q in entry =          13
  In of MODEL   43
    1    H    SER  36           H        SER  36  -4.787  -0.755   5.240
    2    HA   SER  36           HA       SER  36  -5.718   2.034   5.176
    3    HB2  SER  36           HB2      SER  36  -3.293   1.055   6.701
    4    HB3  SER  36           HB3      SER  36  -3.886   2.714   6.624
    5    HG   SER  36           HG       SER  36  -5.838   1.913   7.617

  No H/Q in entry =           5
  In of MODEL   43
    1    H    CYS  37           H        CYS  37  -4.448   3.479   3.978
    2    HA   CYS  37           HA       CYS  37  -3.115   2.323   1.739
    3    HB2  CYS  37           HB2      CYS  37  -3.907   5.031   2.611
    4    HB3  CYS  37           HB3      CYS  37  -2.495   4.963   1.562

  No H/Q in entry =           4
  In of MODEL   43
    1    H    GLU  38           H        GLU  38  -2.088   3.440   4.829
    2    HA   GLU  38           HA       GLU  38   0.651   3.912   4.075
    3    HB2  GLU  38           HB2      GLU  38  -0.792   3.771   6.714
    4    HB3  GLU  38           HB3      GLU  38   0.957   3.928   6.623
    5    HG2  GLU  38           HG2      GLU  38  -0.633   5.846   5.037
    6    HG3  GLU  38           HG3      GLU  38  -0.694   6.014   6.791

  No H/Q in entry =           6
  In of MODEL   43
    1    H    CYS  39           H        CYS  39   1.851   2.238   3.441
    2    HA   CYS  39           HA       CYS  39   1.397  -0.448   4.075
    3    HB2  CYS  39           HB2      CYS  39   3.631   1.094   2.862
    4    HB3  CYS  39           HB3      CYS  39   3.998  -0.527   3.443

  No H/Q in entry =           4
  In of MODEL   43
    1    HA   PRO  40           HA       PRO  40   2.861  -1.095   8.181
    2    HB2  PRO  40           HB2      PRO  40   4.317  -3.440   7.062
    3    HB3  PRO  40           HB3      PRO  40   3.185  -3.360   8.416
    4    HG2  PRO  40           HG2      PRO  40   2.429  -4.376   6.075
    5    HG3  PRO  40           HG3      PRO  40   1.323  -3.373   7.032
    6    HD2  PRO  40           HD2      PRO  40   2.875  -2.677   4.579
    7    HD3  PRO  40           HD3      PRO  40   1.250  -2.160   5.073

  No H/Q in entry =           7
  In of MODEL   43
    1    H    SER  41           H        SER  41   4.990  -1.684   9.354
    2    HA   SER  41           HA       SER  41   7.118  -0.086   8.126
    3    HB2  SER  41           HB2      SER  41   8.051  -0.029  10.465
    4    HB3  SER  41           HB3      SER  41   6.465   0.722  10.294
    5    HG   SER  41           HG       SER  41   7.157  -1.727  11.492

  No H/Q in entry =           5
  In of MODEL   43
    1    H    TYR  42           H        TYR  42   6.401  -3.266   9.380
    2    HA   TYR  42           HA       TYR  42   9.160  -4.142   9.156
    3    HB2  TYR  42           HB2      TYR  42   8.333  -6.291   9.980
    4    HB3  TYR  42           HB3      TYR  42   7.764  -4.977  11.003
    5    HD1  TYR  42           HD1      TYR  42   5.400  -4.310  10.967
    6    HD2  TYR  42           HD2      TYR  42   6.800  -7.612   8.678
    7    HE1  TYR  42           HE1      TYR  42   3.084  -5.082  10.675
    8    HE2  TYR  42           HE2      TYR  42   4.487  -8.392   8.379
    9    HH   TYR  42           HH       TYR  42   1.774  -6.463   9.203

  No H/Q in entry =           9
  In of MODEL   43
    1    HA   PRO  43           HA       PRO  43   9.240  -5.852   5.109
    2    HB2  PRO  43           HB2      PRO  43   9.733  -8.530   6.324
    3    HB3  PRO  43           HB3      PRO  43  10.651  -7.671   5.081
    4    HG2  PRO  43           HG2      PRO  43  11.561  -7.818   7.578
    5    HG3  PRO  43           HG3      PRO  43  11.745  -6.332   6.628
    6    HD2  PRO  43           HD2      PRO  43   9.839  -6.946   8.840
    7    HD3  PRO  43           HD3      PRO  43  10.652  -5.419   8.440

  No H/Q in entry =           7
  In of MODEL   43
    1    H    GLY  44           H        GLY  44   8.429  -7.950   3.867
    2    HA3  GLY  44           HA2      GLY  44   5.589  -7.969   4.177
    3    HA2  GLY  44           HA3      GLY  44   6.513  -8.907   3.014

  No H/Q in entry =           3
  In of MODEL   44
    1    H1   ALA   1           H2       ALA   1 -12.928  14.717  -4.342
    2    H2   ALA   1           H1       ALA   1 -14.326  14.169  -5.173
    3    H3   ALA   1           H3       ALA   1 -13.947  15.840  -5.144
    4    HA   ALA   1           HA       ALA   1 -14.499  16.079  -2.966
    5    HB1  ALA   1           HB1      ALA   1 -16.358  15.348  -4.714
    6    HB3  ALA   1           HB2      ALA   1 -16.735  15.671  -3.021
    7    HB2  ALA   1           HB3      ALA   1 -16.532  14.010  -3.578

  No H/Q in entry =           7
  In of MODEL   44
    1    H    MET   2           H        MET   2 -15.218  15.098  -0.899
    2    HA   MET   2           HA       MET   2 -14.831  13.755   0.894
    3    HB2  MET   2           HB2      MET   2 -16.049  12.159  -0.747
    4    HB3  MET   2           HB3      MET   2 -14.464  11.433  -0.977
    5    HG2  MET   2           HG2      MET   2 -14.417  10.530   1.104
    6    HG3  MET   2           HG3      MET   2 -15.404  11.811   1.805
    7    HE2  MET   2           HE1      MET   2 -18.045   9.704   2.805
    8    HE1  MET   2           HE2      MET   2 -16.471  10.397   3.196
    9    HE3  MET   2           HE3      MET   2 -16.603   8.690   2.772

  No H/Q in entry =           9
  In of MODEL   44
    1    H    ASP   3           H        ASP   3 -13.185  12.415   1.985
    2    HA   ASP   3           HA       ASP   3 -10.577  13.348   1.394
    3    HB2  ASP   3           HB2      ASP   3  -9.881  11.786   3.231
    4    HB3  ASP   3           HB3      ASP   3 -11.162  12.908   3.681

  No H/Q in entry =           4
  In of MODEL   44
    1    H    CYS   4           H        CYS   4  -8.713  12.147   0.809
    2    HA   CYS   4           HA       CYS   4  -9.143   9.507  -0.366
    3    HB2  CYS   4           HB2      CYS   4  -7.993  11.853  -1.891
    4    HB3  CYS   4           HB3      CYS   4  -7.973  10.184  -2.451

  No H/Q in entry =           4
  In of MODEL   44
    1    H    THR   5           H        THR   5  -7.647   8.239   0.492
    2    HA   THR   5           HA       THR   5  -5.297   9.243   1.746
    3    HB   THR   5           HB       THR   5  -4.727   6.697   1.760
    4    HG1  THR   5           HG1      THR   5  -6.366   6.311   0.082
    5   HG21  THR   5          HG21      THR   5  -6.642   8.217   3.318
    6   HG23  THR   5          HG22      THR   5  -5.405   7.072   3.838
    7   HG22  THR   5          HG23      THR   5  -6.982   6.487   3.309

  No H/Q in entry =           7
  In of MODEL   44
    1    H    THR   6           H        THR   6  -4.720  10.414  -0.367
    2    HA   THR   6           HA       THR   6  -3.703   9.070  -2.590
    3    HB   THR   6           HB       THR   6  -2.190  11.246  -2.670
    4    HG1  THR   6           HG1      THR   6  -2.643  11.845  -0.513
    5   HG23  THR   6          HG21      THR   6  -3.666  11.795  -4.212
    6   HG22  THR   6          HG22      THR   6  -4.782  12.330  -2.955
    7   HG21  THR   6          HG23      THR   6  -4.827  10.660  -3.523

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLY   7           H        GLY   7  -2.503   7.276  -1.913
    2    HA3  GLY   7           HA2      GLY   7   0.264   7.917  -1.238
    3    HA2  GLY   7           HA3      GLY   7  -0.594   6.856  -0.130

  No H/Q in entry =           3
  In of MODEL   44
    1    HA   PRO   8           HA       PRO   8   1.371   4.324  -3.549
    2    HB2  PRO   8           HB2      PRO   8   2.866   2.717  -1.969
    3    HB3  PRO   8           HB3      PRO   8   3.443   4.286  -2.545
    4    HG2  PRO   8           HG2      PRO   8   2.275   3.557   0.114
    5    HG3  PRO   8           HG3      PRO   8   3.676   4.582  -0.249
    6    HD2  PRO   8           HD2      PRO   8   1.225   5.590   0.347
    7    HD3  PRO   8           HD3      PRO   8   2.368   6.412  -0.735

  No H/Q in entry =           7
  In of MODEL   44
    1    H    CYS   9           H        CYS   9  -0.169   3.578  -0.496
    2    HA   CYS   9           HA       CYS   9  -0.946   0.927  -1.463
    3    HB2  CYS   9           HB2      CYS   9  -0.636   2.179   1.180
    4    HB3  CYS   9           HB3      CYS   9  -2.051   1.144   1.030

  No H/Q in entry =           4
  In of MODEL   44
    1    H    CYS  10           H        CYS  10  -2.051   3.521  -2.473
    2    HA   CYS  10           HA       CYS  10  -4.861   2.773  -2.238
    3    HB2  CYS  10           HB2      CYS  10  -3.969   5.635  -1.856
    4    HB3  CYS  10           HB3      CYS  10  -5.611   5.010  -1.750

  No H/Q in entry =           4
  In of MODEL   44
    1    H    ARG  11           H        ARG  11  -6.149   3.445  -3.995
    2    HA   ARG  11           HA       ARG  11  -4.690   4.644  -6.250
    3    HB2  ARG  11           HB2      ARG  11  -5.208   2.006  -6.193
    4    HB3  ARG  11           HB3      ARG  11  -6.725   2.578  -6.876
    5    HG2  ARG  11           HG2      ARG  11  -4.256   3.654  -8.083
    6    HG3  ARG  11           HG3      ARG  11  -4.591   1.942  -8.353
    7    HD2  ARG  11           HD2      ARG  11  -6.870   3.777  -8.718
    8    HD3  ARG  11           HD3      ARG  11  -5.565   3.932  -9.893
    9    HE   ARG  11           HE       ARG  11  -7.480   1.852  -9.759
   10   HH11  ARG  11          HH11      ARG  11  -4.109   2.432 -10.451
   11   HH12  ARG  11          HH12      ARG  11  -3.963   1.071 -11.512
   12   HH21  ARG  11          HH21      ARG  11  -7.290   0.061 -11.155
   13   HH22  ARG  11          HH22      ARG  11  -5.770  -0.274 -11.912

  No H/Q in entry =          13
  In of MODEL   44
    1    H    GLN  12           H        GLN  12  -5.705   6.316  -7.131
    2    HA   GLN  12           HA       GLN  12  -7.322   7.788  -7.749
    3    HB2  GLN  12           HB2      GLN  12  -8.445   5.711  -8.614
    4    HB3  GLN  12           HB3      GLN  12  -9.327   5.629  -7.095
    5    HG2  GLN  12           HG2      GLN  12 -10.222   7.907  -7.584
    6    HG3  GLN  12           HG3      GLN  12  -9.473   7.794  -9.176
    7   HE21  GLN  12          HE21      GLN  12 -12.320   7.631  -7.779
    8   HE22  GLN  12          HE22      GLN  12 -13.105   6.428  -8.739

  No H/Q in entry =           8
  In of MODEL   44
    1    H    CYS  13           H        CYS  13  -8.951   5.942  -5.190
    2    HA   CYS  13           HA       CYS  13  -8.565   7.843  -3.157
    3    HB2  CYS  13           HB2      CYS  13 -10.058   9.184  -4.653
    4    HB3  CYS  13           HB3      CYS  13 -11.310   7.969  -4.422

  No H/Q in entry =           4
  In of MODEL   44
    1    H    LYS  14           H        LYS  14  -8.506   5.016  -3.477
    2    HA   LYS  14           HA       LYS  14 -10.265   4.287  -1.280
    3    HB2  LYS  14           HB2      LYS  14 -11.204   3.759  -3.743
    4    HB3  LYS  14           HB3      LYS  14 -10.219   2.323  -3.504
    5    HG2  LYS  14           HG2      LYS  14 -11.576   1.487  -1.897
    6    HG3  LYS  14           HG3      LYS  14 -12.029   3.082  -1.293
    7    HD2  LYS  14           HD2      LYS  14 -13.994   2.616  -2.299
    8    HD3  LYS  14           HD3      LYS  14 -13.146   3.157  -3.750
    9    HE2  LYS  14           HE2      LYS  14 -12.947   0.297  -2.931
   10    HE3  LYS  14           HE3      LYS  14 -14.425   0.863  -3.708
   11    HZ3  LYS  14           HZ1      LYS  14 -13.163   1.581  -5.598
   12    HZ2  LYS  14           HZ2      LYS  14 -12.780  -0.036  -5.281
   13    HZ1  LYS  14           HZ3      LYS  14 -11.700   1.190  -4.842

  No H/Q in entry =          13
  In of MODEL   44
    1    H    LEU  15           H        LEU  15  -9.272   2.971   0.121
    2    HA   LEU  15           HA       LEU  15  -6.572   2.416   0.018
    3    HB2  LEU  15           HB2      LEU  15  -8.731   1.880   1.773
    4    HB3  LEU  15           HB3      LEU  15  -7.872   0.369   1.542
    5    HG   LEU  15           HG       LEU  15  -6.218   2.757   2.137
    6   HD13  LEU  15          HD11      LEU  15  -6.671   2.758   4.463
    7   HD12  LEU  15          HD12      LEU  15  -7.738   1.361   4.326
    8   HD11  LEU  15          HD13      LEU  15  -8.225   2.912   3.644
    9   HD21  LEU  15          HD21      LEU  15  -6.202  -0.131   3.000
   10   HD23  LEU  15          HD22      LEU  15  -5.017   1.073   3.503
   11   HD22  LEU  15          HD23      LEU  15  -5.152   0.626   1.803

  No H/Q in entry =          11
  In of MODEL   44
    1    H    LYS  16           H        LYS  16  -5.424   1.126  -1.247
    2    HA   LYS  16           HA       LYS  16  -6.409  -0.616  -3.136
    3    HB2  LYS  16           HB2      LYS  16  -3.766  -0.218  -1.846
    4    HB3  LYS  16           HB3      LYS  16  -3.994  -1.720  -2.731
    5    HG2  LYS  16           HG2      LYS  16  -4.860  -0.155  -4.622
    6    HG3  LYS  16           HG3      LYS  16  -3.972   1.087  -3.737
    7    HD2  LYS  16           HD2      LYS  16  -2.793  -1.524  -4.684
    8    HD3  LYS  16           HD3      LYS  16  -2.643   0.013  -5.538
    9    HE2  LYS  16           HE2      LYS  16  -1.682   0.904  -3.322
   10    HE3  LYS  16           HE3      LYS  16  -1.485  -0.794  -2.892
   11    HZ2  LYS  16           HZ1      LYS  16  -0.119   0.765  -4.971
   12    HZ1  LYS  16           HZ2      LYS  16  -0.324  -0.898  -5.202
   13    HZ3  LYS  16           HZ3      LYS  16   0.523  -0.331  -3.853

  No H/Q in entry =          13
  In of MODEL   44
    1    HA   PRO  17           HA       PRO  17  -7.564  -4.425  -1.263
    2    HB2  PRO  17           HB2      PRO  17  -6.179  -6.303  -2.717
    3    HB3  PRO  17           HB3      PRO  17  -7.654  -5.505  -3.272
    4    HG2  PRO  17           HG2      PRO  17  -4.802  -4.883  -3.924
    5    HG3  PRO  17           HG3      PRO  17  -6.218  -4.902  -4.992
    6    HD2  PRO  17           HD2      PRO  17  -5.192  -2.605  -4.048
    7    HD3  PRO  17           HD3      PRO  17  -6.940  -2.820  -4.277

  No H/Q in entry =           7
  In of MODEL   44
    1    H    ALA  18           H        ALA  18  -6.980  -5.638   0.455
    2    HA   ALA  18           HA       ALA  18  -4.556  -5.206   1.775
    3    HB1  ALA  18           HB1      ALA  18  -6.085  -5.911   3.281
    4    HB2  ALA  18           HB2      ALA  18  -5.376  -7.487   2.931
    5    HB3  ALA  18           HB3      ALA  18  -6.873  -6.998   2.138

  No H/Q in entry =           5
  In of MODEL   44
    1    H    GLY  19           H        GLY  19  -2.595  -5.862   1.205
    2    HA3  GLY  19           HA2      GLY  19  -1.080  -7.761   1.054
    3    HA2  GLY  19           HA3      GLY  19  -2.304  -8.583   0.097

  No H/Q in entry =           3
  In of MODEL   44
    1    H    THR  20           H        THR  20  -1.651  -5.220  -0.459
    2    HA   THR  20           HA       THR  20  -0.614  -5.900  -3.106
    3    HB   THR  20           HB       THR  20  -1.455  -3.200  -2.038
    4    HG1  THR  20           HG1      THR  20  -2.909  -5.216  -3.380
    5   HG22  THR  20          HG21      THR  20  -1.920  -3.320  -4.764
    6   HG21  THR  20          HG22      THR  20  -0.325  -4.042  -4.552
    7   HG23  THR  20          HG23      THR  20  -0.647  -2.418  -3.942

  No H/Q in entry =           7
  In of MODEL   44
    1    H    THR  21           H        THR  21   1.509  -5.971  -3.377
    2    HA   THR  21           HA       THR  21   3.377  -5.013  -1.500
    3    HB   THR  21           HB       THR  21   4.601  -5.262  -4.078
    4    HG1  THR  21           HG1      THR  21   2.883  -7.419  -3.434
    5   HG23  THR  21          HG21      THR  21   5.993  -6.073  -2.516
    6   HG22  THR  21          HG22      THR  21   5.178  -7.592  -2.890
    7   HG21  THR  21          HG23      THR  21   4.682  -6.648  -1.486

  No H/Q in entry =           7
  In of MODEL   44
    1    H    CYS  22           H        CYS  22   4.038  -3.013  -1.128
    2    HA   CYS  22           HA       CYS  22   3.797  -1.026  -3.290
    3    HB2  CYS  22           HB2      CYS  22   3.542   0.675  -1.559
    4    HB3  CYS  22           HB3      CYS  22   2.328  -0.584  -1.360

  No H/Q in entry =           4
  In of MODEL   44
    1    H    TRP  23           H        TRP  23   6.056  -2.807  -2.846
    2    HA   TRP  23           HA       TRP  23   8.159  -0.978  -3.161
    3    HB2  TRP  23           HB2      TRP  23   7.557  -1.051  -0.549
    4    HB3  TRP  23           HB3      TRP  23   8.641  -2.437  -0.617
    5    HD1  TRP  23           HD1      TRP  23   8.807   1.182  -2.051
    6    HE1  TRP  23           HE1      TRP  23  11.158   2.108  -1.562
    7    HE3  TRP  23           HE3      TRP  23  10.790  -2.866   0.363
    8    HZ2  TRP  23           HZ2      TRP  23  13.538   1.238  -0.318
    9    HZ3  TRP  23           HZ3      TRP  23  13.111  -2.737   1.170
   10    HH2  TRP  23           HH2      TRP  23  14.455  -0.727   0.835

  No H/Q in entry =          10
  In of MODEL   44
    1    H    ARG  24           H        ARG  24   8.417  -2.413  -4.927
    2    HA   ARG  24           HA       ARG  24   9.309  -5.129  -4.301
    3    HB2  ARG  24           HB2      ARG  24   8.268  -3.762  -6.733
    4    HB3  ARG  24           HB3      ARG  24   9.376  -5.107  -6.966
    5    HG2  ARG  24           HG2      ARG  24   7.916  -6.593  -5.778
    6    HG3  ARG  24           HG3      ARG  24   6.851  -5.257  -5.336
    7    HD2  ARG  24           HD2      ARG  24   5.802  -6.337  -7.150
    8    HD3  ARG  24           HD3      ARG  24   6.526  -4.875  -7.818
    9    HE   ARG  24           HE       ARG  24   8.437  -6.742  -8.222
   10   HH11  ARG  24          HH11      ARG  24   5.031  -6.621  -8.974
   11   HH12  ARG  24          HH12      ARG  24   5.178  -7.620 -10.380
   12   HH21  ARG  24          HH21      ARG  24   8.633  -8.057 -10.072
   13   HH22  ARG  24          HH22      ARG  24   7.223  -8.436 -11.004

  No H/Q in entry =          13
  In of MODEL   44
    1    H    THR  25           H        THR  25  11.342  -5.877  -4.727
    2    HA   THR  25           HA       THR  25  13.270  -4.116  -6.022
    3    HB   THR  25           HB       THR  25  14.877  -4.720  -4.056
    4    HG1  THR  25           HG1      THR  25  13.867  -5.037  -2.117
    5   HG22  THR  25          HG21      THR  25  13.445  -2.801  -2.699
    6   HG21  THR  25          HG22      THR  25  13.021  -2.524  -4.388
    7   HG23  THR  25          HG23      THR  25  14.713  -2.516  -3.891

  No H/Q in entry =           7
  In of MODEL   44
    1    H    SER  26           H        SER  26  13.699  -6.951  -3.952
    2    HA   SER  26           HA       SER  26  13.858  -8.874  -5.983
    3    HB2  SER  26           HB2      SER  26  15.846  -7.569  -6.679
    4    HB3  SER  26           HB3      SER  26  16.559  -7.839  -5.088
    5    HG   SER  26           HG       SER  26  17.280  -9.340  -6.697

  No H/Q in entry =           5
  In of MODEL   44
    1    H    VAL  27           H        VAL  27  15.119  -7.815  -2.870
    2    HA   VAL  27           HA       VAL  27  15.126 -10.583  -1.909
    3    HB   VAL  27           HB       VAL  27  17.135  -9.236  -1.455
    4   HG13  VAL  27          HG11      VAL  27  16.246  -7.033  -1.288
    5   HG12  VAL  27          HG12      VAL  27  16.965  -7.429   0.272
    6   HG11  VAL  27          HG13      VAL  27  15.215  -7.486   0.068
    7   HG22  VAL  27          HG21      VAL  27  17.161 -10.786   0.173
    8   HG21  VAL  27          HG22      VAL  27  15.483 -10.486   0.626
    9   HG23  VAL  27          HG23      VAL  27  16.762  -9.432   1.229

  No H/Q in entry =           9
  In of MODEL   44
    1    H    SER  28           H        SER  28  13.544  -7.494  -1.449
    2    HA   SER  28           HA       SER  28  11.723  -8.766   0.488
    3    HB2  SER  28           HB2      SER  28  13.270  -6.634   1.051
    4    HB3  SER  28           HB3      SER  28  11.865  -5.803   0.384
    5    HG   SER  28           HG       SER  28  11.907  -6.314   2.742

  No H/Q in entry =           5
  In of MODEL   44
    1    H    SER  29           H        SER  29   9.702  -6.937   0.526
    2    HA   SER  29           HA       SER  29   8.837  -6.181  -2.083
    3    HB2  SER  29           HB2      SER  29   8.469  -8.851  -1.582
    4    HB3  SER  29           HB3      SER  29   6.926  -8.169  -1.067
    5    HG   SER  29           HG       SER  29   6.840  -8.651  -3.261

  No H/Q in entry =           5
  In of MODEL   44
    1    H    HIS  30           H        HIS  30   7.836  -7.037   1.193
    2    HA   HIS  30           HA       HIS  30   6.474  -6.011   2.700
    3    HB2  HIS  30           HB2      HIS  30   7.024  -3.566   1.005
    4    HB3  HIS  30           HB3      HIS  30   6.357  -3.556   2.634
    5    HD1  HIS  30           HD1      HIS  30   8.052  -3.019   4.336
    6    HD2  HIS  30           HD2      HIS  30   9.717  -5.010   1.091
    7    HE1  HIS  30           HE1      HIS  30  10.510  -3.190   4.842
    8    HE2  HIS  30           HE2      HIS  30  11.509  -4.322   2.825

  No H/Q in entry =           8
  In of MODEL   44
    1    H    TYR  31           H        TYR  31   4.448  -6.742   2.593
    2    HA   TYR  31           HA       TYR  31   2.736  -5.923   0.363
    3    HB2  TYR  31           HB2      TYR  31   2.518  -8.104   2.432
    4    HB3  TYR  31           HB3      TYR  31   1.161  -7.657   1.404
    5    HD1  TYR  31           HD1      TYR  31   1.450  -7.841  -1.112
    6    HD2  TYR  31           HD2      TYR  31   4.193  -9.555   1.651
    7    HE1  TYR  31           HE1      TYR  31   2.297  -9.323  -2.882
    8    HE2  TYR  31           HE2      TYR  31   5.049 -11.041  -0.111
    9    HH   TYR  31           HH       TYR  31   5.104 -10.858  -2.808

  No H/Q in entry =           9
  In of MODEL   44
    1    H    CYS  32           H        CYS  32   0.658  -5.038   0.708
    2    HA   CYS  32           HA       CYS  32   0.536  -3.277   2.995
    3    HB2  CYS  32           HB2      CYS  32  -0.178  -2.873   0.465
    4    HB3  CYS  32           HB3      CYS  32  -1.720  -3.485   1.055

  No H/Q in entry =           4
  In of MODEL   44
    1    H    THR  33           H        THR  33  -1.446  -3.049   4.280
    2    HA   THR  33           HA       THR  33  -2.537  -5.691   4.943
    3    HB   THR  33           HB       THR  33  -1.529  -4.727   6.845
    4    HG1  THR  33           HG1      THR  33  -3.350  -4.263   8.194
    5   HG22  THR  33          HG21      THR  33  -2.724  -2.365   7.500
    6   HG21  THR  33          HG22      THR  33  -2.496  -2.205   5.758
    7   HG23  THR  33          HG23      THR  33  -1.114  -2.542   6.802

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLY  34           H        GLY  34  -3.411  -3.247   3.013
    2    HA3  GLY  34           HA2      GLY  34  -5.403  -2.462   2.190
    3    HA2  GLY  34           HA3      GLY  34  -6.073  -3.987   2.748

  No H/Q in entry =           3
  In of MODEL   44
    1    H    ARG  35           H        ARG  35  -4.637  -1.820   5.044
    2    HA   ARG  35           HA       ARG  35  -7.332  -1.112   6.002
    3    HB2  ARG  35           HB2      ARG  35  -6.059  -2.686   7.470
    4    HB3  ARG  35           HB3      ARG  35  -4.839  -1.437   7.677
    5    HG2  ARG  35           HG2      ARG  35  -6.174  -0.155   9.018
    6    HG3  ARG  35           HG3      ARG  35  -7.667  -0.773   8.309
    7    HD2  ARG  35           HD2      ARG  35  -7.168  -2.972   9.402
    8    HD3  ARG  35           HD3      ARG  35  -5.834  -2.181  10.241
    9    HE   ARG  35           HE       ARG  35  -7.950  -0.613  10.844
   10   HH11  ARG  35          HH11      ARG  35  -7.395  -4.051  11.071
   11   HH12  ARG  35          HH12      ARG  35  -8.442  -4.257  12.434
   12   HH21  ARG  35          HH21      ARG  35  -9.328  -0.882  12.638
   13   HH22  ARG  35          HH22      ARG  35  -9.540  -2.458  13.324

  No H/Q in entry =          13
  In of MODEL   44
    1    H    SER  36           H        SER  36  -4.005  -0.026   5.615
    2    HA   SER  36           HA       SER  36  -4.961   2.730   5.490
    3    HB2  SER  36           HB2      SER  36  -3.959   1.932   7.844
    4    HB3  SER  36           HB3      SER  36  -2.446   2.322   7.027
    5    HG   SER  36           HG       SER  36  -3.395   4.401   6.565

  No H/Q in entry =           5
  In of MODEL   44
    1    H    CYS  37           H        CYS  37  -3.500   4.172   4.412
    2    HA   CYS  37           HA       CYS  37  -2.116   2.926   2.257
    3    HB2  CYS  37           HB2      CYS  37  -3.201   5.446   2.747
    4    HB3  CYS  37           HB3      CYS  37  -1.471   5.738   2.610

  No H/Q in entry =           4
  In of MODEL   44
    1    H    GLU  38           H        GLU  38  -1.185   4.102   5.373
    2    HA   GLU  38           HA       GLU  38   1.547   4.578   4.908
    3    HB2  GLU  38           HB2      GLU  38  -0.056   3.882   7.349
    4    HB3  GLU  38           HB3      GLU  38   1.697   3.983   7.435
    5    HG2  GLU  38           HG2      GLU  38   1.366   6.134   7.895
    6    HG3  GLU  38           HG3      GLU  38   1.063   6.311   6.167

  No H/Q in entry =           6
  In of MODEL   44
    1    H    CYS  39           H        CYS  39   2.600   3.027   3.756
    2    HA   CYS  39           HA       CYS  39   2.308   0.266   4.002
    3    HB2  CYS  39           HB2      CYS  39   4.592   1.976   3.034
    4    HB3  CYS  39           HB3      CYS  39   4.670   0.218   3.006

  No H/Q in entry =           4
  In of MODEL   44
    1    HA   PRO  40           HA       PRO  40   3.970  -0.166   8.192
    2    HB2  PRO  40           HB2      PRO  40   3.834  -3.016   7.333
    3    HB3  PRO  40           HB3      PRO  40   3.252  -2.260   8.820
    4    HG2  PRO  40           HG2      PRO  40   1.546  -2.963   6.904
    5    HG3  PRO  40           HG3      PRO  40   1.322  -1.457   7.813
    6    HD2  PRO  40           HD2      PRO  40   2.345  -1.864   5.038
    7    HD3  PRO  40           HD3      PRO  40   1.337  -0.556   5.691

  No H/Q in entry =           7
  In of MODEL   44
    1    H    SER  41           H        SER  41   5.793  -1.624   9.087
    2    HA   SER  41           HA       SER  41   8.013  -1.554   7.157
    3    HB2  SER  41           HB2      SER  41   9.389  -1.606   9.379
    4    HB3  SER  41           HB3      SER  41   8.625  -0.099   8.871
    5    HG   SER  41           HG       SER  41   7.357  -1.935  10.611

  No H/Q in entry =           5
  In of MODEL   44
    1    H    TYR  42           H        TYR  42   6.280  -3.760   7.171
    2    HA   TYR  42           HA       TYR  42   7.847  -5.859   8.505
    3    HB2  TYR  42           HB2      TYR  42   5.009  -5.754   7.506
    4    HB3  TYR  42           HB3      TYR  42   5.804  -7.289   7.843
    5    HD1  TYR  42           HD1      TYR  42   7.211  -7.017  10.258
    6    HD2  TYR  42           HD2      TYR  42   3.541  -5.159   9.172
    7    HE1  TYR  42           HE1      TYR  42   6.622  -6.803  12.636
    8    HE2  TYR  42           HE2      TYR  42   2.942  -4.939  11.546
    9    HH   TYR  42           HH       TYR  42   4.020  -6.555  13.873

  No H/Q in entry =           9
  In of MODEL   44
    1    HA   PRO  43           HA       PRO  43   9.198  -6.274   4.128
    2    HB2  PRO  43           HB2      PRO  43  11.644  -7.286   4.738
    3    HB3  PRO  43           HB3      PRO  43  11.301  -5.552   4.706
    4    HG2  PRO  43           HG2      PRO  43  11.437  -7.413   7.047
    5    HG3  PRO  43           HG3      PRO  43  12.089  -5.772   6.883
    6    HD2  PRO  43           HD2      PRO  43   9.776  -6.291   8.186
    7    HD3  PRO  43           HD3      PRO  43  10.045  -4.784   7.288

  No H/Q in entry =           7
  In of MODEL   44
    1    H    GLY  44           H        GLY  44   8.454  -7.996   3.070
    2    HA3  GLY  44           HA2      GLY  44   9.123 -10.673   4.079
    3    HA2  GLY  44           HA3      GLY  44   7.440 -10.292   3.746

  No H/Q in entry =           3